7NI   

GtoPdb Ligand ID: 5127

Synonyms: 7-nitroindazole
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 1
Topological polar surface area 71.82
Molecular weight 163.04
XLogP 2.9
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES [O-][N+](=O)c1cccc2c1[nH]nc2
Isomeric SMILES [O-][N+](=O)c1cccc2c1[nH]nc2
InChI InChI=1S/C7H5N3O2/c11-10(12)6-3-1-2-5-4-8-9-7(5)6/h1-4H,(H,8,9)
InChI Key PQCAUHUKTBHUSA-UHFFFAOYSA-N
Selectivity at enzymes
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
Neuronal NOS Hs Inhibitor Inhibition 5.3 pIC50 - 1
pIC50 5.3 (IC50 5x10-6 M) [1]