Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 3DY0EUZ2ZM
EPA CompTox DTXSID5059614

Structure

InChI Key WQOWBWVMZPPPGX-UHFFFAOYSA-N
Smiles Nc1cc2c(cc1)C(=O)c1cc(N)ccc1C2=O
InChI
InChI=1S/C14H10N2O2/c15-7-1-3-9-11(5-7)14(18)10-4-2-8(16)6-12(10)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 131-14-6
NORMAN SUSDAT
FDA SRS 3DY0EUZ2ZM
PubChem 8557
ChemSpider 8239.0