Molecular Identity
1H-Benzotriazole-5-carboxylic acid
2H-benzotriazole-5-carboxylic acid
PubChem CID: 72917
2D Structure
Properties
C7H5N3O2
Molecular Formula
163.13
Molecular Weight
g/mol
163.0382
Exact Mass
Da
0.5
XLogP
Drug-like (Lipinski: < 5)
78.9
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
4
H-Bond Acceptors
197
Complexity
SMILES
Canonical SMILES
SMILES: C1=CC2=NNN=C2C=C1C(=O)OIsomeric SMILES
SMILES: C1=CC2=NNN=C2C=C1C(=O)OSynonyms(20)
23814-12-21H-Benzotriazole-5-carboxylic acidBenzotriazole-5-coohDTXSID10881049RefChem:908329DTXCID201022368627-916-9Benzotriazole-5-carboxylic acid1H-Benzo[d][1,2,3]triazole-5-carboxylic acid2H-Benzo[d][1,2,3]triazole-5-carboxylic acid49636-03-51H-1,2,3-Benzotriazole-5-Carboxylic Acid2H-benzotriazole-5-carboxylic acid1H-1,2,3-benzotriazole-6-carboxylic acid1H-BENZO[D][1,2,3]TRIAZOLE-6-CARBOXYLIC ACID
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to 1H-Benzotriazole-5-carboxylic acid
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