CID 12548943

C14H13N2OSe — CID 12548943

IUPAC—
SMILESCOc1ccc(/N=C(\[Se])Nc2ccccc2)cc1
InChIInChI=1S/C14H13N2OSe/c1-17-13-9-7-12(8-10-13)16-14(18)15-11-5-3-2-4-6-11/h2-10H,1H3,(H,15,16)
InChIKeyKRCLGFNGBPCVQH-UHFFFAOYSA-N
MW304.23 g/mol
LogP2.96
Rot. Bonds3

About CID 12548943

CID 12548943 (PubChem CID 12548943) has the molecular formula C14H13N2OSe and a molecular weight of 304.23 g/mol.

Molecular Properties

Compound NameCID 12548943
PubChem CID12548943
Molecular FormulaC14H13N2OSe
Molecular Weight304.23 g/mol
Exact Mass305.02
IUPAC Name—
SMILESCOc1ccc(/N=C(\[Se])Nc2ccccc2)cc1
InChIInChI=1S/C14H13N2OSe/c1-17-13-9-7-12(8-10-13)16-14(18)15-11-5-3-2-4-6-11/h2-10H,1H3,(H,15,16)
InChIKeyKRCLGFNGBPCVQH-UHFFFAOYSA-N
XLogP2.96
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.23
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-N'-(4-methoxyphenyl)-N-phenylbenzenecarboximidamide;hydrochloride
CID 72949778
1,2,3-tris(4-methoxyphenyl)guanidine
CID 12737122
N'-(4-methoxyphenyl)-N-phenylpropanediamide
CID 15154641
methyl N'-(4-anilinophenyl)-N,N-bis[(4-methoxyphenyl)methyl]carbamimidothioate;hydroiodide
CID 17256076
methyl 2-(4-methoxyphenyl)imino-2-phenylacetate
CID 11659050
1-(4-methoxyphenyl)-1-methyl-3-phenylthiourea
CID 116508176
2-chloro-N-(4-methoxyphenyl)-N'-(4-methylphenyl)benzenecarboximidamide;hydrochloride
CID 163339871
2-[4-[(4-methoxyphenyl)iminomethyl]phenoxy]-N-phenylacetamide
CID 94832090
2-(4-ethoxyphenyl)-1,3-bis(4-methoxyphenyl)guanidine;hydrochloride
CID 10827
CID 19881367
CID 19881367
1-(4-methoxyanilino)-3-phenylthiourea
CID 14147208
4-methoxy-N-(phenylcarbamothioyl)benzenecarbothioamide
CID 12778974

Frequently Asked Questions

What is the IUPAC name of CID 12548943?
The IUPAC name of CID 12548943 (CID 12548943) is not available.
What is the SMILES notation for CID 12548943?
The canonical SMILES for CID 12548943 is COc1ccc(/N=C(\[Se])Nc2ccccc2)cc1.
What is the InChIKey of CID 12548943?
The InChIKey is KRCLGFNGBPCVQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N2OSe/c1-17-13-9-7-12(8-10-13)16-14(18)15-11-5-3-2-4-6-11/h2-10H,1H3,(H,15,16).
What are the key properties of CID 12548943?
CID 12548943 has a molecular weight of 304.23 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 12548943 is sourced from PubChem (CID 12548943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).