2H-chromene;4H-chromene;4H-cyclopenta[b]furan;6H-cyclopenta[b]furan;7H-cyclopenta[b]pyrazine;5H-cyclopenta[b]pyridine;7H-cyclopenta[b]pyridine;4H-cyclopenta[b]thiophene;6H-cyclopenta[b]thiophene;6H-cyclopenta[c]furan;5H-cyclopenta[c]pyridazine;7H-cyclopenta[c]pyridazine;5H-cyclopenta[c]pyridine;7H-cyclopenta[c]pyridine;6H-cyclopenta[c]thiophene;5H-cyclopenta[d]pyrimidine;7H-cyclopenta[d]pyrimidine;1,4-dihydrocyclopenta[b]pyrrole;1,6-dihydrocyclopenta[b]pyrrole;2,6-dihydrocyclopenta[c]pyrrole;ethane;1H-isochromene;1H-isothiochromene;1H-isothiochromene 2,2-dioxide;1H-isothiochromene 2-oxide;2H-thiochromene;4H-thiochromene;2H-thiochromene 1,1-dioxide;4H-thiochromene 1,1-dioxide;2H-thiochromene 1-oxide;4H-thiochromene 1-oxide

C298H391N17O15S12 — CID 158928972

IUPAC2H-chromene;4H-chromene;4H-cyclopenta[b]furan;6H-cyclopenta[b]furan;7H-cyclopenta[b]pyrazine;5H-cyclopenta[b]pyridine;7H-cyclopenta[b]pyridine;4H-cyclopenta[b]thiophene;6H-cyclopenta[b]thiophene;6H-cyclopenta[c]furan;5H-cyclopenta[c]pyridazine;7H-cyclopenta[c]pyridazine;5H-cyclopenta[c]pyridine;7H-cyclopenta[c]pyridine;6H-cyclopenta[c]thiophene;5H-cyclopenta[d]pyrimidine;7H-cyclopenta[d]pyrimidine;1,4-dihydrocyclopenta[b]pyrrole;1,6-dihydrocyclopenta[b]pyrrole;2,6-dihydrocyclopenta[c]pyrrole;ethane;1H-isochromene;1H-isothiochromene;1H-isothiochromene 2,2-dioxide;1H-isothiochromene 2-oxide;2H-thiochromene;4H-thiochromene;2H-thiochromene 1,1-dioxide;4H-thiochromene 1,1-dioxide;2H-thiochromene 1-oxide;4H-thiochromene 1-oxide
SMILESC1=COc2ccccc2C1.C1=CSc2ccccc2C1.C1=Cc2[nH]ccc2C1.C1=Cc2c[nH]cc2C1.C1=Cc2cc[nH]c2C1.C1=Cc2ccccc2CO1.C1=Cc2ccccc2CS1.C1=Cc2ccccc2OC1.C1=Cc2ccccc2SC1.C1=Cc2cccnc2C1.C1=Cc2ccncc2C1.C1=Cc2ccnnc2C1.C1=Cc2ccoc2C1.C1=Cc2ccsc2C1.C1=Cc2cnccc2C1.C1=Cc2cncnc2C1.C1=Cc2cocc2C1.C1=Cc2cscc2C1.C1=Cc2ncccc2C1.C1=Cc2nccnc2C1.C1=Cc2ncncc2C1.C1=Cc2nnccc2C1.C1=Cc2occc2C1.C1=Cc2sccc2C1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.O=S1(=O)C=CCc2ccccc21.O=S1(=O)C=Cc2ccccc2C1.O=S1(=O)CC=Cc2ccccc21.O=S1C=CCc2ccccc21.O=S1C=Cc2ccccc2C1.O=S1CC=Cc2ccccc21
InChIInChI=1S/3C9H8O2S.3C9H8OS.3C9H8O.3C9H8S.4C8H7N.5C7H6N2.3C7H7N.3C7H6O.3C7H6S.30C2H6/c2*10-12(11)7-3-5-8-4-1-2-6-9(8)12;10-12(11)6-5-8-3-1-2-4-9(8)7-12;2*10-11-7-3-5-8-4-1-2-6-9(8)11;10-11-6-5-8-3-1-2-4-9(8)7-11;2*1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;2*1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;2*1-3-7-4-2-6-9-8(7)5-1;2*1-2-7-4-5-9-6-8(7)3-1;2*1-2-6-4-8-5-9-7(6)3-1;1-2-6-7(3-1)9-5-4-8-6;2*1-2-6-4-5-8-9-7(6)3-1;1-2-6-4-8-5-7(6)3-1;2*1-2-6-4-5-8-7(6)3-1;1-2-6-4-8-5-7(6)3-1;2*1-2-6-4-5-8-7(6)3-1;1-2-6-4-8-5-7(6)3-1;2*1-2-6-4-5-8-7(6)3-1;30*1-2/h1-4,6-7H,5H2;2*1-6H,7H2;1-4,6-7H,5H2;2*1-6H,7H2;1-4,6-7H,5H2;2*1-6H,7H2;1-4,6-7H,5H2;2*1-6H,7H2;1-2,4-6H,3H2;1-4,6H,5H2;1,3-6H,2H2;1-2,4-6H,3H2;1,3-5H,2H2;2*1-2,4-5H,3H2;1,3-5H,2H2;1-2,4-5H,3H2;1-2,4-5,8H,3H2;1,3-5,8H,2H2;1-2,4-5,8H,3H2;1-2,4-5H,3H2;1,3-5H,2H2;2*1-2,4-5H,3H2;1,3-5H,2H2;1-2,4-5H,3H2;30*1-2H3
InChIKeyJIULTSBVIUXTSE-UHFFFAOYSA-N
MW4836.31 g/mol
LogP85.05
Rot. Bonds

About 2H-chromene;4H-chromene;4H-cyclopenta[b]furan;6H-cyclopenta[b]furan;7H-cyclopenta[b]pyrazine;5H-cyclopenta[b]pyridine;7H-cyclopenta[b]pyridine;4H-cyclopenta[b]thiophene;6H-cyclopenta[b]thiophene;6H-cyclopenta[c]furan;5H-cyclopenta[c]pyridazine;7H-cyclopenta[c]pyridazine;5H-cyclopenta[c]pyridine;7H-cyclopenta[c]pyridine;6H-cyclopenta[c]thiophene;5H-cyclopenta[d]pyrimidine;7H-cyclopenta[d]pyrimidine;1,4-dihydrocyclopenta[b]pyrrole;1,6-dihydrocyclopenta[b]pyrrole;2,6-dihydrocyclopenta[c]pyrrole;ethane;1H-isochromene;1H-isothiochromene;1H-isothiochromene 2,2-dioxide;1H-isothiochromene 2-oxide;2H-thiochromene;4H-thiochromene;2H-thiochromene 1,1-dioxide;4H-thiochromene 1,1-dioxide;2H-thiochromene 1-oxide;4H-thiochromene 1-oxide

2H-chromene;4H-chromene;4H-cyclopenta[b]furan;6H-cyclopenta[b]furan;7H-cyclopenta[b]pyrazine;5H-cyclopenta[b]pyridine;7H-cyclopenta[b]pyridine;4H-cyclopenta[b]thiophene;6H-cyclopenta[b]thiophene;6H-cyclopenta[c]furan;5H-cyclopenta[c]pyridazine;7H-cyclopenta[c]pyridazine;5H-cyclopenta[c]pyridine;7H-cyclopenta[c]pyridine;6H-cyclopenta[c]thiophene;5H-cyclopenta[d]pyrimidine;7H-cyclopenta[d]pyrimidine;1,4-dihydrocyclopenta[b]pyrrole;1,6-dihydrocyclopenta[b]pyrrole;2,6-dihydrocyclopenta[c]pyrrole;ethane;1H-isochromene;1H-isothiochromene;1H-isothiochromene 2,2-dioxide;1H-isothiochromene 2-oxide;2H-thiochromene;4H-thiochromene;2H-thiochromene 1,1-dioxide;4H-thiochromene 1,1-dioxide;2H-thiochromene 1-oxide;4H-thiochromene 1-oxide (PubChem CID 158928972) has the molecular formula C298H391N17O15S12 and a molecular weight of 4836.31 g/mol. Its IUPAC name is 2H-chromene;4H-chromene;4H-cyclopenta[b]furan;6H-cyclopenta[b]furan;7H-cyclopenta[b]pyrazine;5H-cyclopenta[b]pyridine;7H-cyclopenta[b]pyridine;4H-cyclopenta[b]thiophene;6H-cyclopenta[b]thiophene;6H-cyclopenta[c]furan;5H-cyclopenta[c]pyridazine;7H-cyclopenta[c]pyridazine;5H-cyclopenta[c]pyridine;7H-cyclopenta[c]pyridine;6H-cyclopenta[c]thiophene;5H-cyclopenta[d]pyrimidine;7H-cyclopenta[d]pyrimidine;1,4-dihydrocyclopenta[b]pyrrole;1,6-dihydrocyclopenta[b]pyrrole;2,6-dihydrocyclopenta[c]pyrrole;ethane;1H-isochromene;1H-isothiochromene;1H-isothiochromene 2,2-dioxide;1H-isothiochromene 2-oxide;2H-thiochromene;4H-thiochromene;2H-thiochromene 1,1-dioxide;4H-thiochromene 1,1-dioxide;2H-thiochromene 1-oxide;4H-thiochromene 1-oxide.

Molecular Properties

Compound Name2H-chromene;4H-chromene;4H-cyclopenta[b]furan;6H-cyclopenta[b]furan;7H-cyclopenta[b]pyrazine;5H-cyclopenta[b]pyridine;7H-cyclopenta[b]pyridine;4H-cyclopenta[b]thiophene;6H-cyclopenta[b]thiophene;6H-cyclopenta[c]furan;5H-cyclopenta[c]pyridazine;7H-cyclopenta[c]pyridazine;5H-cyclopenta[c]pyridine;7H-cyclopenta[c]pyridine;6H-cyclopenta[c]thiophene;5H-cyclopenta[d]pyrimidine;7H-cyclopenta[d]pyrimidine;1,4-dihydrocyclopenta[b]pyrrole;1,6-dihydrocyclopenta[b]pyrrole;2,6-dihydrocyclopenta[c]pyrrole;ethane;1H-isochromene;1H-isothiochromene;1H-isothiochromene 2,2-dioxide;1H-isothiochromene 2-oxide;2H-thiochromene;4H-thiochromene;2H-thiochromene 1,1-dioxide;4H-thiochromene 1,1-dioxide;2H-thiochromene 1-oxide;4H-thiochromene 1-oxide
PubChem CID158928972
Molecular FormulaC298H391N17O15S12
Molecular Weight4836.31 g/mol
Exact Mass4831.70
IUPAC Name2H-chromene;4H-chromene;4H-cyclopenta[b]furan;6H-cyclopenta[b]furan;7H-cyclopenta[b]pyrazine;5H-cyclopenta[b]pyridine;7H-cyclopenta[b]pyridine;4H-cyclopenta[b]thiophene;6H-cyclopenta[b]thiophene;6H-cyclopenta[c]furan;5H-cyclopenta[c]pyridazine;7H-cyclopenta[c]pyridazine;5H-cyclopenta[c]pyridine;7H-cyclopenta[c]pyridine;6H-cyclopenta[c]thiophene;5H-cyclopenta[d]pyrimidine;7H-cyclopenta[d]pyrimidine;1,4-dihydrocyclopenta[b]pyrrole;1,6-dihydrocyclopenta[b]pyrrole;2,6-dihydrocyclopenta[c]pyrrole;ethane;1H-isochromene;1H-isothiochromene;1H-isothiochromene 2,2-dioxide;1H-isothiochromene 2-oxide;2H-thiochromene;4H-thiochromene;2H-thiochromene 1,1-dioxide;4H-thiochromene 1,1-dioxide;2H-thiochromene 1-oxide;4H-thiochromene 1-oxide
SMILESC1=COc2ccccc2C1.C1=CSc2ccccc2C1.C1=Cc2[nH]ccc2C1.C1=Cc2c[nH]cc2C1.C1=Cc2cc[nH]c2C1.C1=Cc2ccccc2CO1.C1=Cc2ccccc2CS1.C1=Cc2ccccc2OC1.C1=Cc2ccccc2SC1.C1=Cc2cccnc2C1.C1=Cc2ccncc2C1.C1=Cc2ccnnc2C1.C1=Cc2ccoc2C1.C1=Cc2ccsc2C1.C1=Cc2cnccc2C1.C1=Cc2cncnc2C1.C1=Cc2cocc2C1.C1=Cc2cscc2C1.C1=Cc2ncccc2C1.C1=Cc2nccnc2C1.C1=Cc2ncncc2C1.C1=Cc2nnccc2C1.C1=Cc2occc2C1.C1=Cc2sccc2C1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.O=S1(=O)C=CCc2ccccc21.O=S1(=O)C=Cc2ccccc2C1.O=S1(=O)CC=Cc2ccccc21.O=S1C=CCc2ccccc21.O=S1C=Cc2ccccc2C1.O=S1CC=Cc2ccccc21
InChIInChI=1S/3C9H8O2S.3C9H8OS.3C9H8O.3C9H8S.4C8H7N.5C7H6N2.3C7H7N.3C7H6O.3C7H6S.30C2H6/c2*10-12(11)7-3-5-8-4-1-2-6-9(8)12;10-12(11)6-5-8-3-1-2-4-9(8)7-12;2*10-11-7-3-5-8-4-1-2-6-9(8)11;10-11-6-5-8-3-1-2-4-9(8)7-11;2*1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;2*1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;2*1-3-7-4-2-6-9-8(7)5-1;2*1-2-7-4-5-9-6-8(7)3-1;2*1-2-6-4-8-5-9-7(6)3-1;1-2-6-7(3-1)9-5-4-8-6;2*1-2-6-4-5-8-9-7(6)3-1;1-2-6-4-8-5-7(6)3-1;2*1-2-6-4-5-8-7(6)3-1;1-2-6-4-8-5-7(6)3-1;2*1-2-6-4-5-8-7(6)3-1;1-2-6-4-8-5-7(6)3-1;2*1-2-6-4-5-8-7(6)3-1;30*1-2/h1-4,6-7H,5H2;2*1-6H,7H2;1-4,6-7H,5H2;2*1-6H,7H2;1-4,6-7H,5H2;2*1-6H,7H2;1-4,6-7H,5H2;2*1-6H,7H2;1-2,4-6H,3H2;1-4,6H,5H2;1,3-6H,2H2;1-2,4-6H,3H2;1,3-5H,2H2;2*1-2,4-5H,3H2;1,3-5H,2H2;1-2,4-5H,3H2;1-2,4-5,8H,3H2;1,3-5,8H,2H2;1-2,4-5,8H,3H2;1-2,4-5H,3H2;1,3-5H,2H2;2*1-2,4-5H,3H2;1,3-5H,2H2;1-2,4-5H,3H2;30*1-2H3
InChIKeyJIULTSBVIUXTSE-UHFFFAOYSA-N
XLogP85.05
TPSA448.57 Ų
H-Bond Donors3
H-Bond Acceptors35
Rotatable Bonds
Heavy Atoms342
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004836.31
LogP ≤ 585.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1035

Analyze 2H-chromene;4H-chromene;4H-cyclopenta[b]furan;6H-cyclopenta[b]furan;7H-cyclopenta[b]pyrazine;5H-cyclopenta[b]pyridine;7H-cyclopenta[b]pyridine;4H-cyclopenta[b]thiophene;6H-cyclopenta[b]thiophene;6H-cyclopenta[c]furan;5H-cyclopenta[c]pyridazine;7H-cyclopenta[c]pyridazine;5H-cyclopenta[c]pyridine;7H-cyclopenta[c]pyridine;6H-cyclopenta[c]thiophene;5H-cyclopenta[d]pyrimidine;7H-cyclopenta[d]pyrimidine;1,4-dihydrocyclopenta[b]pyrrole;1,6-dihydrocyclopenta[b]pyrrole;2,6-dihydrocyclopenta[c]pyrrole;ethane;1H-isochromene;1H-isothiochromene;1H-isothiochromene 2,2-dioxide;1H-isothiochromene 2-oxide;2H-thiochromene;4H-thiochromene;2H-thiochromene 1,1-dioxide;4H-thiochromene 1,1-dioxide;2H-thiochromene 1-oxide;4H-thiochromene 1-oxide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2H-chromene;4H-chromene;4H-cyclopenta[b]furan;6H-cyclopenta[b]furan;7H-cyclopenta[b]pyrazine;5H-cyclopenta[b]pyridine;7H-cyclopenta[b]pyridine;4H-cyclopenta[b]thiophene;6H-cyclopenta[b]thiophene;6H-cyclopenta[c]furan;5H-cyclopenta[c]pyridazine;7H-cyclopenta[c]pyridazine;5H-cyclopenta[c]pyridine;7H-cyclopenta[c]pyridine;6H-cyclopenta[c]thiophene;5H-cyclopenta[d]pyrimidine;7H-cyclopenta[d]pyrimidine;1,4-dihydrocyclopenta[b]pyrrole;1,6-dihydrocyclopenta[b]pyrrole;2,6-dihydrocyclopenta[c]pyrrole;ethane;1H-isochromene;1H-isothiochromene;1H-isothiochromene 2,2-dioxide;1H-isothiochromene 2-oxide;2H-thiochromene;4H-thiochromene;2H-thiochromene 1,1-dioxide;4H-thiochromene 1,1-dioxide;2H-thiochromene 1-oxide;4H-thiochromene 1-oxide?
The IUPAC name of 2H-chromene;4H-chromene;4H-cyclopenta[b]furan;6H-cyclopenta[b]furan;7H-cyclopenta[b]pyrazine;5H-cyclopenta[b]pyridine;7H-cyclopenta[b]pyridine;4H-cyclopenta[b]thiophene;6H-cyclopenta[b]thiophene;6H-cyclopenta[c]furan;5H-cyclopenta[c]pyridazine;7H-cyclopenta[c]pyridazine;5H-cyclopenta[c]pyridine;7H-cyclopenta[c]pyridine;6H-cyclopenta[c]thiophene;5H-cyclopenta[d]pyrimidine;7H-cyclopenta[d]pyrimidine;1,4-dihydrocyclopenta[b]pyrrole;1,6-dihydrocyclopenta[b]pyrrole;2,6-dihydrocyclopenta[c]pyrrole;ethane;1H-isochromene;1H-isothiochromene;1H-isothiochromene 2,2-dioxide;1H-isothiochromene 2-oxide;2H-thiochromene;4H-thiochromene;2H-thiochromene 1,1-dioxide;4H-thiochromene 1,1-dioxide;2H-thiochromene 1-oxide;4H-thiochromene 1-oxide (CID 158928972) is 2H-chromene;4H-chromene;4H-cyclopenta[b]furan;6H-cyclopenta[b]furan;7H-cyclopenta[b]pyrazine;5H-cyclopenta[b]pyridine;7H-cyclopenta[b]pyridine;4H-cyclopenta[b]thiophene;6H-cyclopenta[b]thiophene;6H-cyclopenta[c]furan;5H-cyclopenta[c]pyridazine;7H-cyclopenta[c]pyridazine;5H-cyclopenta[c]pyridine;7H-cyclopenta[c]pyridine;6H-cyclopenta[c]thiophene;5H-cyclopenta[d]pyrimidine;7H-cyclopenta[d]pyrimidine;1,4-dihydrocyclopenta[b]pyrrole;1,6-dihydrocyclopenta[b]pyrrole;2,6-dihydrocyclopenta[c]pyrrole;ethane;1H-isochromene;1H-isothiochromene;1H-isothiochromene 2,2-dioxide;1H-isothiochromene 2-oxide;2H-thiochromene;4H-thiochromene;2H-thiochromene 1,1-dioxide;4H-thiochromene 1,1-dioxide;2H-thiochromene 1-oxide;4H-thiochromene 1-oxide.
What is the SMILES notation for 2H-chromene;4H-chromene;4H-cyclopenta[b]furan;6H-cyclopenta[b]furan;7H-cyclopenta[b]pyrazine;5H-cyclopenta[b]pyridine;7H-cyclopenta[b]pyridine;4H-cyclopenta[b]thiophene;6H-cyclopenta[b]thiophene;6H-cyclopenta[c]furan;5H-cyclopenta[c]pyridazine;7H-cyclopenta[c]pyridazine;5H-cyclopenta[c]pyridine;7H-cyclopenta[c]pyridine;6H-cyclopenta[c]thiophene;5H-cyclopenta[d]pyrimidine;7H-cyclopenta[d]pyrimidine;1,4-dihydrocyclopenta[b]pyrrole;1,6-dihydrocyclopenta[b]pyrrole;2,6-dihydrocyclopenta[c]pyrrole;ethane;1H-isochromene;1H-isothiochromene;1H-isothiochromene 2,2-dioxide;1H-isothiochromene 2-oxide;2H-thiochromene;4H-thiochromene;2H-thiochromene 1,1-dioxide;4H-thiochromene 1,1-dioxide;2H-thiochromene 1-oxide;4H-thiochromene 1-oxide?
The canonical SMILES for 2H-chromene;4H-chromene;4H-cyclopenta[b]furan;6H-cyclopenta[b]furan;7H-cyclopenta[b]pyrazine;5H-cyclopenta[b]pyridine;7H-cyclopenta[b]pyridine;4H-cyclopenta[b]thiophene;6H-cyclopenta[b]thiophene;6H-cyclopenta[c]furan;5H-cyclopenta[c]pyridazine;7H-cyclopenta[c]pyridazine;5H-cyclopenta[c]pyridine;7H-cyclopenta[c]pyridine;6H-cyclopenta[c]thiophene;5H-cyclopenta[d]pyrimidine;7H-cyclopenta[d]pyrimidine;1,4-dihydrocyclopenta[b]pyrrole;1,6-dihydrocyclopenta[b]pyrrole;2,6-dihydrocyclopenta[c]pyrrole;ethane;1H-isochromene;1H-isothiochromene;1H-isothiochromene 2,2-dioxide;1H-isothiochromene 2-oxide;2H-thiochromene;4H-thiochromene;2H-thiochromene 1,1-dioxide;4H-thiochromene 1,1-dioxide;2H-thiochromene 1-oxide;4H-thiochromene 1-oxide is C1=COc2ccccc2C1.C1=CSc2ccccc2C1.C1=Cc2[nH]ccc2C1.C1=Cc2c[nH]cc2C1.C1=Cc2cc[nH]c2C1.C1=Cc2ccccc2CO1.C1=Cc2ccccc2CS1.C1=Cc2ccccc2OC1.C1=Cc2ccccc2SC1.C1=Cc2cccnc2C1.C1=Cc2ccncc2C1.C1=Cc2ccnnc2C1.C1=Cc2ccoc2C1.C1=Cc2ccsc2C1.C1=Cc2cnccc2C1.C1=Cc2cncnc2C1.C1=Cc2cocc2C1.C1=Cc2cscc2C1.C1=Cc2ncccc2C1.C1=Cc2nccnc2C1.C1=Cc2ncncc2C1.C1=Cc2nnccc2C1.C1=Cc2occc2C1.C1=Cc2sccc2C1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.O=S1(=O)C=CCc2ccccc21.O=S1(=O)C=Cc2ccccc2C1.O=S1(=O)CC=Cc2ccccc21.O=S1C=CCc2ccccc21.O=S1C=Cc2ccccc2C1.O=S1CC=Cc2ccccc21.
What is the InChIKey of 2H-chromene;4H-chromene;4H-cyclopenta[b]furan;6H-cyclopenta[b]furan;7H-cyclopenta[b]pyrazine;5H-cyclopenta[b]pyridine;7H-cyclopenta[b]pyridine;4H-cyclopenta[b]thiophene;6H-cyclopenta[b]thiophene;6H-cyclopenta[c]furan;5H-cyclopenta[c]pyridazine;7H-cyclopenta[c]pyridazine;5H-cyclopenta[c]pyridine;7H-cyclopenta[c]pyridine;6H-cyclopenta[c]thiophene;5H-cyclopenta[d]pyrimidine;7H-cyclopenta[d]pyrimidine;1,4-dihydrocyclopenta[b]pyrrole;1,6-dihydrocyclopenta[b]pyrrole;2,6-dihydrocyclopenta[c]pyrrole;ethane;1H-isochromene;1H-isothiochromene;1H-isothiochromene 2,2-dioxide;1H-isothiochromene 2-oxide;2H-thiochromene;4H-thiochromene;2H-thiochromene 1,1-dioxide;4H-thiochromene 1,1-dioxide;2H-thiochromene 1-oxide;4H-thiochromene 1-oxide?
The InChIKey is JIULTSBVIUXTSE-UHFFFAOYSA-N. The full InChI is InChI=1S/3C9H8O2S.3C9H8OS.3C9H8O.3C9H8S.4C8H7N.5C7H6N2.3C7H7N.3C7H6O.3C7H6S.30C2H6/c2*10-12(11)7-3-5-8-4-1-2-6-9(8)12;10-12(11)6-5-8-3-1-2-4-9(8)7-12;2*10-11-7-3-5-8-4-1-2-6-9(8)11;10-11-6-5-8-3-1-2-4-9(8)7-11;2*1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;2*1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;2*1-3-7-4-2-6-9-8(7)5-1;2*1-2-7-4-5-9-6-8(7)3-1;2*1-2-6-4-8-5-9-7(6)3-1;1-2-6-7(3-1)9-5-4-8-6;2*1-2-6-4-5-8-9-7(6)3-1;1-2-6-4-8-5-7(6)3-1;2*1-2-6-4-5-8-7(6)3-1;1-2-6-4-8-5-7(6)3-1;2*1-2-6-4-5-8-7(6)3-1;1-2-6-4-8-5-7(6)3-1;2*1-2-6-4-5-8-7(6)3-1;30*1-2/h1-4,6-7H,5H2;2*1-6H,7H2;1-4,6-7H,5H2;2*1-6H,7H2;1-4,6-7H,5H2;2*1-6H,7H2;1-4,6-7H,5H2;2*1-6H,7H2;1-2,4-6H,3H2;1-4,6H,5H2;1,3-6H,2H2;1-2,4-6H,3H2;1,3-5H,2H2;2*1-2,4-5H,3H2;1,3-5H,2H2;1-2,4-5H,3H2;1-2,4-5,8H,3H2;1,3-5,8H,2H2;1-2,4-5,8H,3H2;1-2,4-5H,3H2;1,3-5H,2H2;2*1-2,4-5H,3H2;1,3-5H,2H2;1-2,4-5H,3H2;30*1-2H3.
What are the key properties of 2H-chromene;4H-chromene;4H-cyclopenta[b]furan;6H-cyclopenta[b]furan;7H-cyclopenta[b]pyrazine;5H-cyclopenta[b]pyridine;7H-cyclopenta[b]pyridine;4H-cyclopenta[b]thiophene;6H-cyclopenta[b]thiophene;6H-cyclopenta[c]furan;5H-cyclopenta[c]pyridazine;7H-cyclopenta[c]pyridazine;5H-cyclopenta[c]pyridine;7H-cyclopenta[c]pyridine;6H-cyclopenta[c]thiophene;5H-cyclopenta[d]pyrimidine;7H-cyclopenta[d]pyrimidine;1,4-dihydrocyclopenta[b]pyrrole;1,6-dihydrocyclopenta[b]pyrrole;2,6-dihydrocyclopenta[c]pyrrole;ethane;1H-isochromene;1H-isothiochromene;1H-isothiochromene 2,2-dioxide;1H-isothiochromene 2-oxide;2H-thiochromene;4H-thiochromene;2H-thiochromene 1,1-dioxide;4H-thiochromene 1,1-dioxide;2H-thiochromene 1-oxide;4H-thiochromene 1-oxide?
2H-chromene;4H-chromene;4H-cyclopenta[b]furan;6H-cyclopenta[b]furan;7H-cyclopenta[b]pyrazine;5H-cyclopenta[b]pyridine;7H-cyclopenta[b]pyridine;4H-cyclopenta[b]thiophene;6H-cyclopenta[b]thiophene;6H-cyclopenta[c]furan;5H-cyclopenta[c]pyridazine;7H-cyclopenta[c]pyridazine;5H-cyclopenta[c]pyridine;7H-cyclopenta[c]pyridine;6H-cyclopenta[c]thiophene;5H-cyclopenta[d]pyrimidine;7H-cyclopenta[d]pyrimidine;1,4-dihydrocyclopenta[b]pyrrole;1,6-dihydrocyclopenta[b]pyrrole;2,6-dihydrocyclopenta[c]pyrrole;ethane;1H-isochromene;1H-isothiochromene;1H-isothiochromene 2,2-dioxide;1H-isothiochromene 2-oxide;2H-thiochromene;4H-thiochromene;2H-thiochromene 1,1-dioxide;4H-thiochromene 1,1-dioxide;2H-thiochromene 1-oxide;4H-thiochromene 1-oxide has a molecular weight of 4836.31 g/mol, XLogP of 85.05, 0 rotatable bonds, 3 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-chromene;4H-chromene;4H-cyclopenta[b]furan;6H-cyclopenta[b]furan;7H-cyclopenta[b]pyrazine;5H-cyclopenta[b]pyridine;7H-cyclopenta[b]pyridine;4H-cyclopenta[b]thiophene;6H-cyclopenta[b]thiophene;6H-cyclopenta[c]furan;5H-cyclopenta[c]pyridazine;7H-cyclopenta[c]pyridazine;5H-cyclopenta[c]pyridine;7H-cyclopenta[c]pyridine;6H-cyclopenta[c]thiophene;5H-cyclopenta[d]pyrimidine;7H-cyclopenta[d]pyrimidine;1,4-dihydrocyclopenta[b]pyrrole;1,6-dihydrocyclopenta[b]pyrrole;2,6-dihydrocyclopenta[c]pyrrole;ethane;1H-isochromene;1H-isothiochromene;1H-isothiochromene 2,2-dioxide;1H-isothiochromene 2-oxide;2H-thiochromene;4H-thiochromene;2H-thiochromene 1,1-dioxide;4H-thiochromene 1,1-dioxide;2H-thiochromene 1-oxide;4H-thiochromene 1-oxide is sourced from PubChem (CID 158928972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).