CID 67784559

C25H20ClO3Sn — CID 67784559

IUPAC—
SMILESO=C(O)c1cc(Cl)ccc1O.c1ccc([Sn](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C7H5ClO3.3C6H5.Sn/c8-4-1-2-6(9)5(3-4)7(10)11;3*1-2-4-6-5-3-1;/h1-3,9H,(H,10,11);3*1-5H;
InChIKeyBVYSHRKTMWGBFI-UHFFFAOYSA-N
MW522.60 g/mol
LogP3.95
Rot. Bonds4

About CID 67784559

CID 67784559 (PubChem CID 67784559) has the molecular formula C25H20ClO3Sn and a molecular weight of 522.60 g/mol.

Molecular Properties

Compound NameCID 67784559
PubChem CID67784559
Molecular FormulaC25H20ClO3Sn
Molecular Weight522.60 g/mol
Exact Mass523.01
IUPAC Name—
SMILESO=C(O)c1cc(Cl)ccc1O.c1ccc([Sn](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C7H5ClO3.3C6H5.Sn/c8-4-1-2-6(9)5(3-4)7(10)11;3*1-2-4-6-5-3-1;/h1-3,9H,(H,10,11);3*1-5H;
InChIKeyBVYSHRKTMWGBFI-UHFFFAOYSA-N
XLogP3.95
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.60
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze CID 67784559 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

calcium;5-chloro-2-hydroxybenzoic acid;hydride
CID 174504492
CID 173341839
CID 173341839
2-(5-chloro-2-hydroxybenzoyl)oxybenzoic acid
CID 54253001
2-hydroxybenzoic acid;praseodymium
CID 87786006
5-chloro-2-hydroxybenzenecarbothioic S-acid;zinc
CID 88741905
2-(2-carboxyphenyl)-5-chlorobenzoic acid;dihydrochloride
CID 67933497
4-chloro-2-phenylbenzoic acid
CID 11424784
2-(5-chloro-2-hydroxybenzoyl)-3-methylbenzoic acid
CID 154572941
4-Chlorophenyl)diphenyltin hydrate
CID 6337670
1,4-dichlorobenzene;phthalic acid
CID 146444395
2-hydroxybenzoic acid;hypochlorous acid
CID 68579561
2,6-dichloro-4-(3,5-dichloro-4-hydroxyphenyl)phenol;5-(2,4-dichlorophenyl)-2-hydroxybenzoic acid
CID 143150419

Frequently Asked Questions

What is the IUPAC name of CID 67784559?
The IUPAC name of CID 67784559 (CID 67784559) is not available.
What is the SMILES notation for CID 67784559?
The canonical SMILES for CID 67784559 is O=C(O)c1cc(Cl)ccc1O.c1ccc([Sn](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of CID 67784559?
The InChIKey is BVYSHRKTMWGBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClO3.3C6H5.Sn/c8-4-1-2-6(9)5(3-4)7(10)11;3*1-2-4-6-5-3-1;/h1-3,9H,(H,10,11);3*1-5H;.
What are the key properties of CID 67784559?
CID 67784559 has a molecular weight of 522.60 g/mol, XLogP of 3.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 67784559 is sourced from PubChem (CID 67784559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).