N~1~-(2-chloro-4-nitrophenyl)propane-1,3-diamine
Chemical Structure Depiction of
N~1~-(2-chloro-4-nitrophenyl)propane-1,3-diamine
N~1~-(2-chloro-4-nitrophenyl)propane-1,3-diamine
Compound characteristics
| Compound ID: | 8019-7111 |
| Compound Name: | N~1~-(2-chloro-4-nitrophenyl)propane-1,3-diamine |
| Molecular Weight: | 229.66 |
| Molecular Formula: | C9 H12 Cl N3 O2 |
| Smiles: | C(CN)CNc1ccc(cc1[Cl])[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.6548 |
| logD: | -0.6268 |
| logSw: | -2.6242 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 64.425 |
| InChI Key: | SMLZMZSLFAGBLG-UHFFFAOYSA-N |