4-[cyclohexyl(methyl)amino]-3-nitrobenzoic acid
Chemical Structure Depiction of
4-[cyclohexyl(methyl)amino]-3-nitrobenzoic acid
4-[cyclohexyl(methyl)amino]-3-nitrobenzoic acid
Compound characteristics
Compound ID: | K781-0472 |
Compound Name: | 4-[cyclohexyl(methyl)amino]-3-nitrobenzoic acid |
Molecular Weight: | 278.31 |
Molecular Formula: | C14 H18 N2 O4 |
Smiles: | CN(C1CCCCC1)c1ccc(cc1[N+]([O-])=O)C(O)=O |
Stereo: | ACHIRAL |
logP: | 3.2785 |
logD: | 0.4588 |
logSw: | -3.5039 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 63.432 |
InChI Key: | VSPIHBDRJRMTKQ-UHFFFAOYSA-N |