Ligand id: 5113

Name: 3-bromo-7NI

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 1
Topological polar surface area 71.82
Molecular weight 240.95
XLogP 2.74
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Bland-Ward PA, Moore PK. (1995)
7-Nitro indazole derivatives are potent inhibitors of brain, endothelium and inducible isoforms of nitric oxide synthase.
Life Sci., 57 (11): PL131-5. [PMID:7544863]