3-nitro-4-(piperazin-1-yl)benzoic acid--hydrogen chloride (1/1)
Chemical Structure Depiction of
3-nitro-4-(piperazin-1-yl)benzoic acid--hydrogen chloride (1/1)
3-nitro-4-(piperazin-1-yl)benzoic acid--hydrogen chloride (1/1)
Compound characteristics
Compound ID: | 8018-2956 |
Compound Name: | 3-nitro-4-(piperazin-1-yl)benzoic acid--hydrogen chloride (1/1) |
Molecular Weight: | 287.7 |
Molecular Formula: | C11 H13 N3 O4 |
Salt: | HCl |
Smiles: | C1CN(CCN1)c1ccc(cc1[N+]([O-])=O)C(O)=O |
Stereo: | ACHIRAL |
logP: | 1.0869 |
logD: | 1.0869 |
logSw: | -2.0136 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 76.839 |
InChI Key: | NDYORDYKZZVSRU-UHFFFAOYSA-N |