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| Ligand Name: 5-MERCAPTO-2-NITRO-BENZOIC ACID |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB1098 |
PubChem:
123648
|
Synonym(s):
- 2-nitro-5-sulfanylbenzoic acid
- 15139-21-6
- 5-mercapto-2-nitrobenzoic acid
- 2-nitro-5-thiobenzoic acid
- unii-owt399b07g
- 2-nitro-5-mercaptobenzoic acid
- 5-thio-2-nitrobenzoic acid
- owt399b07g
- thionitrobenzoate
- 5-mercapto-2-nitrobenzoate
- benzoic acid, 5-mercapto-2-nitro-
- schembl60481
- schembl12025936
- dtxsid80864561
- 5-mercapto-(2-nitrobenzoic acid)
- zinc2046780
- akos010616153
- db02763
- mcule-1522173034
- ne34876
- q27093712
show 20 synonym(s)
|
| DrugBank: DB02763 |
ChEMBL: CHEMBL1234388 |
| Canonical SMILES: OC(=O)c1cc(S)ccc1[N+]([O-])=O |
| Standard InChI: InChI=1S/C7H5NO4S/c9-7(10)5-3-4(13)1-2-6(5)8(11)12/h1-3,13H,(H,9,10) |
| Molecular Formula: C7H5NO4S |
Mol. Weight: 198.99393 |
logP: 1.5817 |
| HBD: 2 | HBA: 4 |
| #Rotatable Bonds: 2 | TPSA: 80.44 |