4-(4-methylpiperidin-1-yl)-3-nitrobenzoic acid
Chemical Structure Depiction of
4-(4-methylpiperidin-1-yl)-3-nitrobenzoic acid
4-(4-methylpiperidin-1-yl)-3-nitrobenzoic acid
Compound characteristics
Compound ID: | K781-2098 |
Compound Name: | 4-(4-methylpiperidin-1-yl)-3-nitrobenzoic acid |
Molecular Weight: | 264.28 |
Molecular Formula: | C13 H16 N2 O4 |
Smiles: | CC1CCN(CC1)c1ccc(cc1[N+]([O-])=O)C(O)=O |
Stereo: | ACHIRAL |
logP: | 3.1247 |
logD: | 0.3051 |
logSw: | -3.3259 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 64.879 |
InChI Key: | UMFDTTHDTBZAGN-UHFFFAOYSA-N |