3-nitro-5-[3-(3-sulfophenyl)triaz-2-en-1-yl]benzoic acid
Chemical Structure Depiction of
3-nitro-5-[3-(3-sulfophenyl)triaz-2-en-1-yl]benzoic acid
3-nitro-5-[3-(3-sulfophenyl)triaz-2-en-1-yl]benzoic acid
Compound characteristics
| Compound ID: | 0998-0056 |
| Compound Name: | 3-nitro-5-[3-(3-sulfophenyl)triaz-2-en-1-yl]benzoic acid |
| Molecular Weight: | 366.31 |
| Molecular Formula: | C13 H10 N4 O7 S |
| Smiles: | c1cc(cc(c1)S(O)(=O)=O)/N=N/Nc1cc(cc(c1)[N+]([O-])=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.4951 |
| logD: | -13.2049 |
| logSw: | -2.3001 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 137.931 |
| InChI Key: | VCGONBIWYJBEHK-UHFFFAOYSA-N |