Keyword(s): Human Metabolites
Molecule Category Free-form
UNII NN41VO15CG
EPA CompTox DTXSID60179029

Structure

InChI Key FTMRMQALUDDFQO-UHFFFAOYSA-N
Smiles o1c2c(cccc2)c2c1cc1ccccc1c2
InChI
InChI=1S/C16H10O/c1-2-6-12-10-16-14(9-11(12)5-1)13-7-3-4-8-15(13)17-16/h1-10H

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H10O1
Molecular Weight 218.07
AlogP 4.74
Hydrogen Bond Acceptor 1.0
Polar Surface Area 13.14
Heavy Atoms 17.0

Cross References

Resources Reference
CAS NUMBER 243-42-5
NORMAN SUSDAT
FDA SRS NN41VO15CG
PubChem 71072
ChemSpider 107.0