4-({1-carboxy-2-[(3-fluorophenyl)methanesulfonyl]ethyl}amino)-3,5-dinitrobenzoic acid
Chemical Structure Depiction of
4-({1-carboxy-2-[(3-fluorophenyl)methanesulfonyl]ethyl}amino)-3,5-dinitrobenzoic acid
4-({1-carboxy-2-[(3-fluorophenyl)methanesulfonyl]ethyl}amino)-3,5-dinitrobenzoic acid
Compound characteristics
| Compound ID: | K781-8113 |
| Compound Name: | 4-({1-carboxy-2-[(3-fluorophenyl)methanesulfonyl]ethyl}amino)-3,5-dinitrobenzoic acid |
| Molecular Weight: | 471.37 |
| Molecular Formula: | C17 H14 F N3 O10 S |
| Smiles: | C(C(C(O)=O)Nc1c(cc(cc1[N+]([O-])=O)C(O)=O)[N+]([O-])=O)S(Cc1cccc(c1)F)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.6969 |
| logD: | -3.912 |
| logSw: | -2.2353 |
| Hydrogen bond acceptors count: | 18 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 159.986 |
| InChI Key: | ICFFLFCGQADGCW-LBPRGKRZSA-N |