Keyword(s): Human Metabolites
Molecule Category Free-form
UNII OFH5RW45PA
EPA CompTox DTXSID5060643

Structure

InChI Key BBVQDWDBTWSGHQ-UHFFFAOYSA-N
Smiles Clc1nc2c(o1)cccc2
InChI
InChI=1S/C7H4ClNO/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H4Cl1N1O1
Molecular Weight 153.0
AlogP 2.48
Hydrogen Bond Acceptor 2.0
Polar Surface Area 26.03
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 615-18-9
NORMAN SUSDAT
FDA SRS OFH5RW45PA
PubChem 11986
ChemSpider 11491.0