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Ligand Download |
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| Ligand Name: 2-(3,4-dichlorophenyl)ethanamine | ||
| HET ID: 42J | PubChem: 217958 | |
| DrugBank: - | ChEMBL: CHEMBL147230 | |
| Canonical SMILES: NCCc1ccc(c(c1)Cl)Cl | ||
| Standard InChI: InChI=1S/C8H9Cl2N/c9-7-2-1-6(3-4-11)5-8(7)10/h1-2,5H,3-4,11H2 | ||
| Molecular Formula: C8H9Cl2N | Mol. Weight: 190.06976 | Heavy Atoms: 11 |
| Charge: 0 | Is Chiral: False | logP: 3.1949 |
| HBD: 1 | HBA: 1 | TPSA: 26.02 |
| #Bonds: 11 | #Rotatable Bonds: 2 | Shape Complexity: 0.25 |
| Stereocomplexity: 0.0 | ||