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

Structure

InChI Key MQULPEUCGKEHEG-UHFFFAOYSA-N
Smiles Fc1ccccc1-c1cc(C=O)c[nH]1
InChI
InChI=1S/C11H8FNO/c12-10-4-2-1-3-9(10)11-5-8(7-14)6-13-11/h1-7,13H

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H8F1N1O1
Molecular Weight 189.06
AlogP 2.63
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 32.86
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 881674-56-2
NORMAN SUSDAT
PubChem 46908593
ChemSpider 29309878.0