4-(cyclopentylsulfanyl)-3-nitrobenzoic acid
Chemical Structure Depiction of
4-(cyclopentylsulfanyl)-3-nitrobenzoic acid
4-(cyclopentylsulfanyl)-3-nitrobenzoic acid
Compound characteristics
| Compound ID: | 8018-3424 |
| Compound Name: | 4-(cyclopentylsulfanyl)-3-nitrobenzoic acid |
| Molecular Weight: | 267.3 |
| Molecular Formula: | C12 H13 N O4 S |
| Smiles: | C1CCC(C1)Sc1ccc(cc1[N+]([O-])=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0129 |
| logD: | 0.1974 |
| logSw: | -4.2388 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.014 |
| InChI Key: | QFRRVRJMPRJHQD-UHFFFAOYSA-N |