Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 3ZXX3HK358
EPA CompTox DTXSID1059602

Structure

InChI Key VWBVCOPVKXNMMZ-UHFFFAOYSA-N
Smiles Nc1cccc2c1C(=O)c1cccc(N)c1C2=O
InChI
InChI=1S/C14H10N2O2/c15-9-5-1-3-7-11(9)14(18)8-4-2-6-10(16)12(8)13(7)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 129-44-2
NORMAN SUSDAT
FDA SRS 3ZXX3HK358
PubChem 8513
ChemSpider 8199.0