acetazolamide   Click here for help

GtoPdb Ligand ID: 6792

Synonyms: Diamox®
Approved drug PDB Ligand
acetazolamide is an approved drug (FDA (1995))
Compound class: Synthetic organic
Comment: Carbonic anhydrase inhibitor
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 3
Topological polar surface area 151.66
Molecular weight 221.99
XLogP -0.98
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CC(=O)Nc1nnc(s1)S(=O)(=O)N
Isomeric SMILES CC(=O)Nc1nnc(s1)S(=O)(=O)N
InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
InChI Key BZKPWHYZMXOIDC-UHFFFAOYSA-N