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

Structure

InChI Key XYPGMTJYUVGKGQ-UHFFFAOYSA-N
Smiles Oc1c(Cl)cc2nccc(Cl)c2c1O
InChI
InChI=1S/C9H5Cl2NO2/c10-4-1-2-12-6-3-5(11)8(13)9(14)7(4)6/h1-3,13-14H

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H5Cl2N1O2
Molecular Weight 228.97
AlogP 2.95
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Polar Surface Area 53.35
Heavy Atoms 14.0

Cross References

Resources Reference
NORMAN SUSDAT