Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 1R4Z9RL2L3
EPA CompTox DTXSID4059598

Structure

InChI Key NMFBXBSNLQNQKL-UHFFFAOYSA-N
Smiles Cc1c(Cl)c2c(cc1)C(=O)c1c(cccc1)C2=O
InChI
InChI=1S/C15H9ClO2/c1-8-6-7-11-12(13(8)16)15(18)10-5-3-2-4-9(10)14(11)17/h2-7H,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H9Cl1O2
Molecular Weight 256.03
AlogP 3.42
Hydrogen Bond Acceptor 2.0
Polar Surface Area 34.14
Heavy Atoms 18.0

Cross References

Resources Reference
CAS NUMBER 129-35-1
NORMAN SUSDAT
FDA SRS 1R4Z9RL2L3
PubChem 8509
ChemSpider 8195.0