Keyword(s): Human Metabolites
Molecule Category Free-form
UNII H5P6YP29VA
EPA CompTox DTXSID5061950

Structure

InChI Key LRMDXTVKVHKWEK-UHFFFAOYSA-N
Smiles Nc1ccc2C(=O)c3c(cccc3)C(=O)c2c1N
InChI
InChI=1S/C14H10N2O2/c15-10-6-5-9-11(12(10)16)14(18)8-4-2-1-3-7(8)13(9)17/h1-6H,15-16H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H10N2O2
Molecular Weight 238.07
AlogP 1.63
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Polar Surface Area 86.18
Heavy Atoms 18.0

Cross References

Resources Reference
CAS NUMBER 1758-68-5
NORMAN SUSDAT
FDA SRS H5P6YP29VA
PubChem 15652
ChemSpider 14887.0