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

Structure

InChI Key GSUCEGNAROQSGU-UHFFFAOYSA-N
Smiles Brc1ccc2Oc3ccccc3Oc2c1
InChI
InChI=1S/C12H7BrO2/c13-8-5-6-11-12(7-8)15-10-4-2-1-3-9(10)14-11/h1-7H

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H7Br1O2
Molecular Weight 261.96
AlogP 4.35
Hydrogen Bond Acceptor 2.0
Polar Surface Area 18.46
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 105906-36-3
NORMAN SUSDAT