Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID30449382

Structure

InChI Key SCTLOBNXCWHAJH-UHFFFAOYSA-N
Smiles NP(=N)(c1ccccc1)c1ccccc1
InChI
InChI=1S/C12H13N2P/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H3,13,14)

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H13N2P1
Molecular Weight 216.08
AlogP 2.29
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 49.87
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 113975-31-8
NORMAN SUSDAT
PubChem 16019989
ChemSpider 11479516.0