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

Structure

InChI Key YTLIXUAGIGBJAF-UHFFFAOYSA-N
Smiles OP1(=O)Oc2ccccc2-c2ccccc12
InChI
InChI=1S/C12H9O3P/c13-16(14)12-8-4-2-6-10(12)9-5-1-3-7-11(9)15-16/h1-8H,(H,13,14)

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H9O3P1
Molecular Weight 232.03
AlogP 2.56
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Polar Surface Area 46.53
Heavy Atoms 16.0

Cross References

Resources Reference
CAS NUMBER 28668-21-5
NORMAN SUSDAT
PubChem 11402004
ChemSpider 9576900.0