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GtoPdb Ligand ID: 4152

Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 1
Hydrogen bond donors 0
Rotatable bonds 0
Topological polar surface area 12.89
Molecular weight 213.03
XLogP 4.01
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES Clc1nccc2c1ccc1c2cccc1
Isomeric SMILES Clc1nccc2c1ccc1c2cccc1
InChI InChI=1S/C13H8ClN/c14-13-12-6-5-9-3-1-2-4-10(9)11(12)7-8-15-13/h1-8H
InChI Key SHQLTRRYZVBEMR-UHFFFAOYSA-N
References
1. Verkman AS, Galietta LJ. (2009)
Chloride channels as drug targets.
Nat Rev Drug Discov, 8 (2): 153-71. [PMID:19153558]