Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 8C4ZDD4KUV
EPA CompTox DTXSID00179220

Structure

InChI Key PCVRSXXPGXRVEZ-UHFFFAOYSA-N
Smiles ClCc1c2ccccc2cc2ccccc12
InChI
InChI=1S/C15H11Cl/c16-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)15/h1-9H,10H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H11Cl1
Molecular Weight 226.05
AlogP 4.73
Number of Rotational Bond 1.0
Heavy Atoms 16.0

Cross References

Resources Reference
CAS NUMBER 24463-19-2
NORMAN SUSDAT
FDA SRS 8C4ZDD4KUV
PubChem 32385
ChemSpider 30010.0