1,3-benzodioxole;1,3-benzodithiole;1,3-benzoxathiole;4H-chromene;2,3-dihydro-1,4-benzodioxine;1,3-dihydro-2-benzofuran;bis(2,3-dihydro-1-benzofuran);1,3-dihydro-2-benzothiophene;bis(2,3-dihydro-1-benzothiophene);1,3-dihydro-2-benzothiophene 2,2-dioxide;bis(2,3-dihydro-1-benzothiophene 1,1-dioxide);1,3-dihydro-2-benzothiophene 2-oxide;bis(2,3-dihydro-1-benzothiophene 1-oxide);2,3-dihydro-1,4-benzoxathiine;3,4-dihydro-2H-chromene;bis(2,3-dihydro-1H-indole);2,3-dihydro-1H-isoindole;3,4-dihydro-1H-isothiochromene;3,4-dihydro-1H-isothiochromene 2,2-dioxide;3,4-dihydro-1H-isothiochromene 2-oxide;2,3-dihydro-1,4λ4-benzoxathiine 4-oxide;bis(3,4-dihydro-2H-thiochromene);bis(3,4-dihydro-2H-thiochromene 1,1-dioxide);bis(3,4-dihydro-2H-thiochromene 1-oxide);1,3λ6-benzoxathiole 3,3-dioxide;1,3λ4-benzoxathiole 3-oxide;1λ6,3λ6-benzodithiole 1,1,3,3-tetraoxide;1,2,3,4-tetrahydroquinoline

C294H302N4O40S27 — CID 158961576

About 1,3-benzodioxole;1,3-benzodithiole;1,3-benzoxathiole;4H-chromene;2,3-dihydro-1,4-benzodioxine;1,3-dihydro-2-benzofuran;bis(2,3-dihydro-1-benzofuran);1,3-dihydro-2-benzothiophene;bis(2,3-dihydro-1-benzothiophene);1,3-dihydro-2-benzothiophene 2,2-dioxide;bis(2,3-dihydro-1-benzothiophene 1,1-dioxide);1,3-dihydro-2-benzothiophene 2-oxide;bis(2,3-dihydro-1-benzothiophene 1-oxide);2,3-dihydro-1,4-benzoxathiine;3,4-dihydro-2H-chromene;bis(2,3-dihydro-1H-indole);2,3-dihydro-1H-isoindole;3,4-dihydro-1H-isothiochromene;3,4-dihydro-1H-isothiochromene 2,2-dioxide;3,4-dihydro-1H-isothiochromene 2-oxide;2,3-dihydro-1,4λ4-benzoxathiine 4-oxide;bis(3,4-dihydro-2H-thiochromene);bis(3,4-dihydro-2H-thiochromene 1,1-dioxide);bis(3,4-dihydro-2H-thiochromene 1-oxide);1,3λ6-benzoxathiole 3,3-dioxide;1,3λ4-benzoxathiole 3-oxide;1λ6,3λ6-benzodithiole 1,1,3,3-tetraoxide;1,2,3,4-tetrahydroquinoline

1,3-benzodioxole;1,3-benzodithiole;1,3-benzoxathiole;4H-chromene;2,3-dihydro-1,4-benzodioxine;1,3-dihydro-2-benzofuran;bis(2,3-dihydro-1-benzofuran);1,3-dihydro-2-benzothiophene;bis(2,3-dihydro-1-benzothiophene);1,3-dihydro-2-benzothiophene 2,2-dioxide;bis(2,3-dihydro-1-benzothiophene 1,1-dioxide);1,3-dihydro-2-benzothiophene 2-oxide;bis(2,3-dihydro-1-benzothiophene 1-oxide);2,3-dihydro-1,4-benzoxathiine;3,4-dihydro-2H-chromene;bis(2,3-dihydro-1H-indole);2,3-dihydro-1H-isoindole;3,4-dihydro-1H-isothiochromene;3,4-dihydro-1H-isothiochromene 2,2-dioxide;3,4-dihydro-1H-isothiochromene 2-oxide;2,3-dihydro-1,4λ4-benzoxathiine 4-oxide;bis(3,4-dihydro-2H-thiochromene);bis(3,4-dihydro-2H-thiochromene 1,1-dioxide);bis(3,4-dihydro-2H-thiochromene 1-oxide);1,3λ6-benzoxathiole 3,3-dioxide;1,3λ4-benzoxathiole 3-oxide;1λ6,3λ6-benzodithiole 1,1,3,3-tetraoxide;1,2,3,4-tetrahydroquinoline (PubChem CID 158961576) has the molecular formula C294H302N4O40S27 and a molecular weight of 5397.45 g/mol. Its IUPAC name is 1,3-benzodioxole;1,3-benzodithiole;1,3-benzoxathiole;4H-chromene;2,3-dihydro-1,4-benzodioxine;1,3-dihydro-2-benzofuran;bis(2,3-dihydro-1-benzofuran);1,3-dihydro-2-benzothiophene;bis(2,3-dihydro-1-benzothiophene);1,3-dihydro-2-benzothiophene 2,2-dioxide;bis(2,3-dihydro-1-benzothiophene 1,1-dioxide);1,3-dihydro-2-benzothiophene 2-oxide;bis(2,3-dihydro-1-benzothiophene 1-oxide);2,3-dihydro-1,4-benzoxathiine;3,4-dihydro-2H-chromene;bis(2,3-dihydro-1H-indole);2,3-dihydro-1H-isoindole;3,4-dihydro-1H-isothiochromene;3,4-dihydro-1H-isothiochromene 2,2-dioxide;3,4-dihydro-1H-isothiochromene 2-oxide;2,3-dihydro-1,4λ4-benzoxathiine 4-oxide;bis(3,4-dihydro-2H-thiochromene);bis(3,4-dihydro-2H-thiochromene 1,1-dioxide);bis(3,4-dihydro-2H-thiochromene 1-oxide);1,3λ6-benzoxathiole 3,3-dioxide;1,3λ4-benzoxathiole 3-oxide;1λ6,3λ6-benzodithiole 1,1,3,3-tetraoxide;1,2,3,4-tetrahydroquinoline.

Molecular Properties

• Compound Name: 1,3-benzodioxole;1,3-benzodithiole;1,3-benzoxathiole;4H-chromene;2,3-dihydro-1,4-benzodioxine;1,3-dihydro-2-benzofuran;bis(2,3-dihydro-1-benzofuran);1,3-dihydro-2-benzothiophene;bis(2,3-dihydro-1-benzothiophene);1,3-dihydro-2-benzothiophene 2,2-dioxide;bis(2,3-dihydro-1-benzothiophene 1,1-dioxide);1,3-dihydro-2-benzothiophene 2-oxide;bis(2,3-dihydro-1-benzothiophene 1-oxide);2,3-dihydro-1,4-benzoxathiine;3,4-dihydro-2H-chromene;bis(2,3-dihydro-1H-indole);2,3-dihydro-1H-isoindole;3,4-dihydro-1H-isothiochromene;3,4-dihydro-1H-isothiochromene 2,2-dioxide;3,4-dihydro-1H-isothiochromene 2-oxide;2,3-dihydro-1,4λ4-benzoxathiine 4-oxide;bis(3,4-dihydro-2H-thiochromene);bis(3,4-dihydro-2H-thiochromene 1,1-dioxide);bis(3,4-dihydro-2H-thiochromene 1-oxide);1,3λ6-benzoxathiole 3,3-dioxide;1,3λ4-benzoxathiole 3-oxide;1λ6,3λ6-benzodithiole 1,1,3,3-tetraoxide;1,2,3,4-tetrahydroquinoline
• PubChem CID: 158961576
• Molecular Formula: C294H302N4O40S27
• Molecular Weight: 5397.45 g/mol
• Exact Mass: 5391.42
• IUPAC Name: 1,3-benzodioxole;1,3-benzodithiole;1,3-benzoxathiole;4H-chromene;2,3-dihydro-1,4-benzodioxine;1,3-dihydro-2-benzofuran;bis(2,3-dihydro-1-benzofuran);1,3-dihydro-2-benzothiophene;bis(2,3-dihydro-1-benzothiophene);1,3-dihydro-2-benzothiophene 2,2-dioxide;bis(2,3-dihydro-1-benzothiophene 1,1-dioxide);1,3-dihydro-2-benzothiophene 2-oxide;bis(2,3-dihydro-1-benzothiophene 1-oxide);2,3-dihydro-1,4-benzoxathiine;3,4-dihydro-2H-chromene;bis(2,3-dihydro-1H-indole);2,3-dihydro-1H-isoindole;3,4-dihydro-1H-isothiochromene;3,4-dihydro-1H-isothiochromene 2,2-dioxide;3,4-dihydro-1H-isothiochromene 2-oxide;2,3-dihydro-1,4λ4-benzoxathiine 4-oxide;bis(3,4-dihydro-2H-thiochromene);bis(3,4-dihydro-2H-thiochromene 1,1-dioxide);bis(3,4-dihydro-2H-thiochromene 1-oxide);1,3λ6-benzoxathiole 3,3-dioxide;1,3λ4-benzoxathiole 3-oxide;1λ6,3λ6-benzodithiole 1,1,3,3-tetraoxide;1,2,3,4-tetrahydroquinoline
• SMILES: C1=COc2ccccc2C1.O=S1(=O)CCCc2ccccc21.O=S1(=O)CCCc2ccccc21.O=S1(=O)CCc2ccccc21.O=S1(=O)CCc2ccccc21.O=S1(=O)CCc2ccccc2C1.O=S1(=O)COc2ccccc21.O=S1(=O)CS(=O)(=O)c2ccccc21.O=S1(=O)Cc2ccccc2C1.O=S1CCCc2ccccc21.O=S1CCCc2ccccc21.O=S1CCOc2ccccc21.O=S1CCc2ccccc21.O=S1CCc2ccccc21.O=S1CCc2ccccc2C1.O=S1COc2ccccc21.O=S1Cc2ccccc2C1.c1ccc2c(c1)CCCN2.c1ccc2c(c1)CCCO2.c1ccc2c(c1)CCCS2.c1ccc2c(c1)CCCS2.c1ccc2c(c1)CCN2.c1ccc2c(c1)CCN2.c1ccc2c(c1)CCO2.c1ccc2c(c1)CCO2.c1ccc2c(c1)CCS2.c1ccc2c(c1)CCS2.c1ccc2c(c1)CCSC2.c1ccc2c(c1)CNC2.c1ccc2c(c1)COC2.c1ccc2c(c1)CSC2.c1ccc2c(c1)OCCO2.c1ccc2c(c1)OCCS2.c1ccc2c(c1)OCO2.c1ccc2c(c1)OCS2.c1ccc2c(c1)SCS2
• InChI: InChI=1S/C9H11N.3C9H10O2S.3C9H10OS.C9H10O.C9H8O.3C9H10S.3C8H9N.4C8H8O2S.C8H8O2.4C8H8OS.3C8H8O.3C8H8S.C7H6O4S2.C7H6O3S.C7H6O2S.C7H6O2.C7H6OS.C7H6S2/c1-2-6-9-8(4-1)5-3-7-10-9;2*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;4*1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;1-2-4-8-6-9-5-7(8)3-1;2*1-2-4-8-7(3-1)5-6-9-8;9-11(10)5-7-3-1-2-4-8(7)6-11;9-11-6-5-10-7-3-1-2-4-8(7)11;2*9-11(10)6-5-7-3-1-2-4-8(7)11;1-2-4-8-7(3-1)9-5-6-10-8;9-10-5-7-3-1-2-4-8(7)6-10;1-2-4-8-7(3-1)9-5-6-10-8;2*9-10-6-5-7-3-1-2-4-8(7)10;1-2-4-8-6-9-5-7(8)3-1;2*1-2-4-8-7(3-1)5-6-9-8;1-2-4-8-6-9-5-7(8)3-1;2*1-2-4-8-7(3-1)5-6-9-8;8-12(9)5-13(10,11)7-4-2-1-3-6(7)12;8-11(9)5-10-6-3-1-2-4-7(6)11;8-10-5-9-6-3-1-2-4-7(6)10;3*1-2-4-7-6(3-1)8-5-9-7/h1-2,4,6,10H,3,5,7H2;2*1-2,4,6H,3,5,7H2;1-4H,5-7H2;2*1-2,4,6H,3,5,7H2;1-4H,5-7H2;1-2,4,6H,3,5,7H2;1-4,6-7H,5H2;2*1-2,4,6H,3,5,7H2;1-4H,5-7H2;3*1-4,9H,5-6H2;4*1-4H,5-6H2;5*1-4H,5-6H2;6*1-4H,5-6H2;1-4H,5H2;1-4H,5H2;1-4H,5H2;3*1-4H,5H2
• InChIKey: JMROMLJHPFLISY-UHFFFAOYSA-N
• XLogP: 60.38
• TPSA: 621.16 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 54
• Heavy Atoms: 365
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	5397.45
LogP ≤ 5	60.38
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	54

Frequently Asked Questions

What is the IUPAC name of 1,3-benzodioxole;1,3-benzodithiole;1,3-benzoxathiole;4H-chromene;2,3-dihydro-1,4-benzodioxine;1,3-dihydro-2-benzofuran;bis(2,3-dihydro-1-benzofuran);1,3-dihydro-2-benzothiophene;bis(2,3-dihydro-1-benzothiophene);1,3-dihydro-2-benzothiophene 2,2-dioxide;bis(2,3-dihydro-1-benzothiophene 1,1-dioxide);1,3-dihydro-2-benzothiophene 2-oxide;bis(2,3-dihydro-1-benzothiophene 1-oxide);2,3-dihydro-1,4-benzoxathiine;3,4-dihydro-2H-chromene;bis(2,3-dihydro-1H-indole);2,3-dihydro-1H-isoindole;3,4-dihydro-1H-isothiochromene;3,4-dihydro-1H-isothiochromene 2,2-dioxide;3,4-dihydro-1H-isothiochromene 2-oxide;2,3-dihydro-1,4λ4-benzoxathiine 4-oxide;bis(3,4-dihydro-2H-thiochromene);bis(3,4-dihydro-2H-thiochromene 1,1-dioxide);bis(3,4-dihydro-2H-thiochromene 1-oxide);1,3λ6-benzoxathiole 3,3-dioxide;1,3λ4-benzoxathiole 3-oxide;1λ6,3λ6-benzodithiole 1,1,3,3-tetraoxide;1,2,3,4-tetrahydroquinoline?

The IUPAC name of 1,3-benzodioxole;1,3-benzodithiole;1,3-benzoxathiole;4H-chromene;2,3-dihydro-1,4-benzodioxine;1,3-dihydro-2-benzofuran;bis(2,3-dihydro-1-benzofuran);1,3-dihydro-2-benzothiophene;bis(2,3-dihydro-1-benzothiophene);1,3-dihydro-2-benzothiophene 2,2-dioxide;bis(2,3-dihydro-1-benzothiophene 1,1-dioxide);1,3-dihydro-2-benzothiophene 2-oxide;bis(2,3-dihydro-1-benzothiophene 1-oxide);2,3-dihydro-1,4-benzoxathiine;3,4-dihydro-2H-chromene;bis(2,3-dihydro-1H-indole);2,3-dihydro-1H-isoindole;3,4-dihydro-1H-isothiochromene;3,4-dihydro-1H-isothiochromene 2,2-dioxide;3,4-dihydro-1H-isothiochromene 2-oxide;2,3-dihydro-1,4λ4-benzoxathiine 4-oxide;bis(3,4-dihydro-2H-thiochromene);bis(3,4-dihydro-2H-thiochromene 1,1-dioxide);bis(3,4-dihydro-2H-thiochromene 1-oxide);1,3λ6-benzoxathiole 3,3-dioxide;1,3λ4-benzoxathiole 3-oxide;1λ6,3λ6-benzodithiole 1,1,3,3-tetraoxide;1,2,3,4-tetrahydroquinoline (CID 158961576) is 1,3-benzodioxole;1,3-benzodithiole;1,3-benzoxathiole;4H-chromene;2,3-dihydro-1,4-benzodioxine;1,3-dihydro-2-benzofuran;bis(2,3-dihydro-1-benzofuran);1,3-dihydro-2-benzothiophene;bis(2,3-dihydro-1-benzothiophene);1,3-dihydro-2-benzothiophene 2,2-dioxide;bis(2,3-dihydro-1-benzothiophene 1,1-dioxide);1,3-dihydro-2-benzothiophene 2-oxide;bis(2,3-dihydro-1-benzothiophene 1-oxide);2,3-dihydro-1,4-benzoxathiine;3,4-dihydro-2H-chromene;bis(2,3-dihydro-1H-indole);2,3-dihydro-1H-isoindole;3,4-dihydro-1H-isothiochromene;3,4-dihydro-1H-isothiochromene 2,2-dioxide;3,4-dihydro-1H-isothiochromene 2-oxide;2,3-dihydro-1,4λ4-benzoxathiine 4-oxide;bis(3,4-dihydro-2H-thiochromene);bis(3,4-dihydro-2H-thiochromene 1,1-dioxide);bis(3,4-dihydro-2H-thiochromene 1-oxide);1,3λ6-benzoxathiole 3,3-dioxide;1,3λ4-benzoxathiole 3-oxide;1λ6,3λ6-benzodithiole 1,1,3,3-tetraoxide;1,2,3,4-tetrahydroquinoline.

What is the SMILES notation for 1,3-benzodioxole;1,3-benzodithiole;1,3-benzoxathiole;4H-chromene;2,3-dihydro-1,4-benzodioxine;1,3-dihydro-2-benzofuran;bis(2,3-dihydro-1-benzofuran);1,3-dihydro-2-benzothiophene;bis(2,3-dihydro-1-benzothiophene);1,3-dihydro-2-benzothiophene 2,2-dioxide;bis(2,3-dihydro-1-benzothiophene 1,1-dioxide);1,3-dihydro-2-benzothiophene 2-oxide;bis(2,3-dihydro-1-benzothiophene 1-oxide);2,3-dihydro-1,4-benzoxathiine;3,4-dihydro-2H-chromene;bis(2,3-dihydro-1H-indole);2,3-dihydro-1H-isoindole;3,4-dihydro-1H-isothiochromene;3,4-dihydro-1H-isothiochromene 2,2-dioxide;3,4-dihydro-1H-isothiochromene 2-oxide;2,3-dihydro-1,4λ4-benzoxathiine 4-oxide;bis(3,4-dihydro-2H-thiochromene);bis(3,4-dihydro-2H-thiochromene 1,1-dioxide);bis(3,4-dihydro-2H-thiochromene 1-oxide);1,3λ6-benzoxathiole 3,3-dioxide;1,3λ4-benzoxathiole 3-oxide;1λ6,3λ6-benzodithiole 1,1,3,3-tetraoxide;1,2,3,4-tetrahydroquinoline?

The canonical SMILES for 1,3-benzodioxole;1,3-benzodithiole;1,3-benzoxathiole;4H-chromene;2,3-dihydro-1,4-benzodioxine;1,3-dihydro-2-benzofuran;bis(2,3-dihydro-1-benzofuran);1,3-dihydro-2-benzothiophene;bis(2,3-dihydro-1-benzothiophene);1,3-dihydro-2-benzothiophene 2,2-dioxide;bis(2,3-dihydro-1-benzothiophene 1,1-dioxide);1,3-dihydro-2-benzothiophene 2-oxide;bis(2,3-dihydro-1-benzothiophene 1-oxide);2,3-dihydro-1,4-benzoxathiine;3,4-dihydro-2H-chromene;bis(2,3-dihydro-1H-indole);2,3-dihydro-1H-isoindole;3,4-dihydro-1H-isothiochromene;3,4-dihydro-1H-isothiochromene 2,2-dioxide;3,4-dihydro-1H-isothiochromene 2-oxide;2,3-dihydro-1,4λ4-benzoxathiine 4-oxide;bis(3,4-dihydro-2H-thiochromene);bis(3,4-dihydro-2H-thiochromene 1,1-dioxide);bis(3,4-dihydro-2H-thiochromene 1-oxide);1,3λ6-benzoxathiole 3,3-dioxide;1,3λ4-benzoxathiole 3-oxide;1λ6,3λ6-benzodithiole 1,1,3,3-tetraoxide;1,2,3,4-tetrahydroquinoline is C1=COc2ccccc2C1.O=S1(=O)CCCc2ccccc21.O=S1(=O)CCCc2ccccc21.O=S1(=O)CCc2ccccc21.O=S1(=O)CCc2ccccc21.O=S1(=O)CCc2ccccc2C1.O=S1(=O)COc2ccccc21.O=S1(=O)CS(=O)(=O)c2ccccc21.O=S1(=O)Cc2ccccc2C1.O=S1CCCc2ccccc21.O=S1CCCc2ccccc21.O=S1CCOc2ccccc21.O=S1CCc2ccccc21.O=S1CCc2ccccc21.O=S1CCc2ccccc2C1.O=S1COc2ccccc21.O=S1Cc2ccccc2C1.c1ccc2c(c1)CCCN2.c1ccc2c(c1)CCCO2.c1ccc2c(c1)CCCS2.c1ccc2c(c1)CCCS2.c1ccc2c(c1)CCN2.c1ccc2c(c1)CCN2.c1ccc2c(c1)CCO2.c1ccc2c(c1)CCO2.c1ccc2c(c1)CCS2.c1ccc2c(c1)CCS2.c1ccc2c(c1)CCSC2.c1ccc2c(c1)CNC2.c1ccc2c(c1)COC2.c1ccc2c(c1)CSC2.c1ccc2c(c1)OCCO2.c1ccc2c(c1)OCCS2.c1ccc2c(c1)OCO2.c1ccc2c(c1)OCS2.c1ccc2c(c1)SCS2.

What is the InChIKey of 1,3-benzodioxole;1,3-benzodithiole;1,3-benzoxathiole;4H-chromene;2,3-dihydro-1,4-benzodioxine;1,3-dihydro-2-benzofuran;bis(2,3-dihydro-1-benzofuran);1,3-dihydro-2-benzothiophene;bis(2,3-dihydro-1-benzothiophene);1,3-dihydro-2-benzothiophene 2,2-dioxide;bis(2,3-dihydro-1-benzothiophene 1,1-dioxide);1,3-dihydro-2-benzothiophene 2-oxide;bis(2,3-dihydro-1-benzothiophene 1-oxide);2,3-dihydro-1,4-benzoxathiine;3,4-dihydro-2H-chromene;bis(2,3-dihydro-1H-indole);2,3-dihydro-1H-isoindole;3,4-dihydro-1H-isothiochromene;3,4-dihydro-1H-isothiochromene 2,2-dioxide;3,4-dihydro-1H-isothiochromene 2-oxide;2,3-dihydro-1,4λ4-benzoxathiine 4-oxide;bis(3,4-dihydro-2H-thiochromene);bis(3,4-dihydro-2H-thiochromene 1,1-dioxide);bis(3,4-dihydro-2H-thiochromene 1-oxide);1,3λ6-benzoxathiole 3,3-dioxide;1,3λ4-benzoxathiole 3-oxide;1λ6,3λ6-benzodithiole 1,1,3,3-tetraoxide;1,2,3,4-tetrahydroquinoline?

The InChIKey is JMROMLJHPFLISY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N.3C9H10O2S.3C9H10OS.C9H10O.C9H8O.3C9H10S.3C8H9N.4C8H8O2S.C8H8O2.4C8H8OS.3C8H8O.3C8H8S.C7H6O4S2.C7H6O3S.C7H6O2S.C7H6O2.C7H6OS.C7H6S2/c1-2-6-9-8(4-1)5-3-7-10-9;2*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;4*1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;1-2-4-8-6-9-5-7(8)3-1;2*1-2-4-8-7(3-1)5-6-9-8;9-11(10)5-7-3-1-2-4-8(7)6-11;9-11-6-5-10-7-3-1-2-4-8(7)11;2*9-11(10)6-5-7-3-1-2-4-8(7)11;1-2-4-8-7(3-1)9-5-6-10-8;9-10-5-7-3-1-2-4-8(7)6-10;1-2-4-8-7(3-1)9-5-6-10-8;2*9-10-6-5-7-3-1-2-4-8(7)10;1-2-4-8-6-9-5-7(8)3-1;2*1-2-4-8-7(3-1)5-6-9-8;1-2-4-8-6-9-5-7(8)3-1;2*1-2-4-8-7(3-1)5-6-9-8;8-12(9)5-13(10,11)7-4-2-1-3-6(7)12;8-11(9)5-10-6-3-1-2-4-7(6)11;8-10-5-9-6-3-1-2-4-7(6)10;3*1-2-4-7-6(3-1)8-5-9-7/h1-2,4,6,10H,3,5,7H2;2*1-2,4,6H,3,5,7H2;1-4H,5-7H2;2*1-2,4,6H,3,5,7H2;1-4H,5-7H2;1-2,4,6H,3,5,7H2;1-4,6-7H,5H2;2*1-2,4,6H,3,5,7H2;1-4H,5-7H2;3*1-4,9H,5-6H2;4*1-4H,5-6H2;5*1-4H,5-6H2;6*1-4H,5-6H2;1-4H,5H2;1-4H,5H2;1-4H,5H2;3*1-4H,5H2.

What are the key properties of 1,3-benzodioxole;1,3-benzodithiole;1,3-benzoxathiole;4H-chromene;2,3-dihydro-1,4-benzodioxine;1,3-dihydro-2-benzofuran;bis(2,3-dihydro-1-benzofuran);1,3-dihydro-2-benzothiophene;bis(2,3-dihydro-1-benzothiophene);1,3-dihydro-2-benzothiophene 2,2-dioxide;bis(2,3-dihydro-1-benzothiophene 1,1-dioxide);1,3-dihydro-2-benzothiophene 2-oxide;bis(2,3-dihydro-1-benzothiophene 1-oxide);2,3-dihydro-1,4-benzoxathiine;3,4-dihydro-2H-chromene;bis(2,3-dihydro-1H-indole);2,3-dihydro-1H-isoindole;3,4-dihydro-1H-isothiochromene;3,4-dihydro-1H-isothiochromene 2,2-dioxide;3,4-dihydro-1H-isothiochromene 2-oxide;2,3-dihydro-1,4λ4-benzoxathiine 4-oxide;bis(3,4-dihydro-2H-thiochromene);bis(3,4-dihydro-2H-thiochromene 1,1-dioxide);bis(3,4-dihydro-2H-thiochromene 1-oxide);1,3λ6-benzoxathiole 3,3-dioxide;1,3λ4-benzoxathiole 3-oxide;1λ6,3λ6-benzodithiole 1,1,3,3-tetraoxide;1,2,3,4-tetrahydroquinoline?

1,3-benzodioxole;1,3-benzodithiole;1,3-benzoxathiole;4H-chromene;2,3-dihydro-1,4-benzodioxine;1,3-dihydro-2-benzofuran;bis(2,3-dihydro-1-benzofuran);1,3-dihydro-2-benzothiophene;bis(2,3-dihydro-1-benzothiophene);1,3-dihydro-2-benzothiophene 2,2-dioxide;bis(2,3-dihydro-1-benzothiophene 1,1-dioxide);1,3-dihydro-2-benzothiophene 2-oxide;bis(2,3-dihydro-1-benzothiophene 1-oxide);2,3-dihydro-1,4-benzoxathiine;3,4-dihydro-2H-chromene;bis(2,3-dihydro-1H-indole);2,3-dihydro-1H-isoindole;3,4-dihydro-1H-isothiochromene;3,4-dihydro-1H-isothiochromene 2,2-dioxide;3,4-dihydro-1H-isothiochromene 2-oxide;2,3-dihydro-1,4λ4-benzoxathiine 4-oxide;bis(3,4-dihydro-2H-thiochromene);bis(3,4-dihydro-2H-thiochromene 1,1-dioxide);bis(3,4-dihydro-2H-thiochromene 1-oxide);1,3λ6-benzoxathiole 3,3-dioxide;1,3λ4-benzoxathiole 3-oxide;1λ6,3λ6-benzodithiole 1,1,3,3-tetraoxide;1,2,3,4-tetrahydroquinoline has a molecular weight of 5397.45 g/mol, XLogP of 60.38, 0 rotatable bonds, 4 hydrogen bond donors, and 54 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-benzodioxole;1,3-benzodithiole;1,3-benzoxathiole;4H-chromene;2,3-dihydro-1,4-benzodioxine;1,3-dihydro-2-benzofuran;bis(2,3-dihydro-1-benzofuran);1,3-dihydro-2-benzothiophene;bis(2,3-dihydro-1-benzothiophene);1,3-dihydro-2-benzothiophene 2,2-dioxide;bis(2,3-dihydro-1-benzothiophene 1,1-dioxide);1,3-dihydro-2-benzothiophene 2-oxide;bis(2,3-dihydro-1-benzothiophene 1-oxide);2,3-dihydro-1,4-benzoxathiine;3,4-dihydro-2H-chromene;bis(2,3-dihydro-1H-indole);2,3-dihydro-1H-isoindole;3,4-dihydro-1H-isothiochromene;3,4-dihydro-1H-isothiochromene 2,2-dioxide;3,4-dihydro-1H-isothiochromene 2-oxide;2,3-dihydro-1,4λ4-benzoxathiine 4-oxide;bis(3,4-dihydro-2H-thiochromene);bis(3,4-dihydro-2H-thiochromene 1,1-dioxide);bis(3,4-dihydro-2H-thiochromene 1-oxide);1,3λ6-benzoxathiole 3,3-dioxide;1,3λ4-benzoxathiole 3-oxide;1λ6,3λ6-benzodithiole 1,1,3,3-tetraoxide;1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 158961576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).