 |
| Ligand Name:
2-carbazol-9-yl-N-(2-chloranyl-6-cyano-phenyl)ethanamide |
| HET ID: DYR |
PubChem:
91827381
|
| DrugBank: - |
ChEMBL: - |
| Canonical SMILES: N#Cc1cccc(c1NC(=O)Cn1c2ccccc2c2c1cccc2)Cl |
| Standard InChI: InChI=1S/C21H14ClN3O/c22-17-9-5-6-14(12-23)21(17)24-20(26)13-25-18-10-3-1-7-15(18)16-8-2-4-11-19(16)25/h1-11H,13H2,(H,24,26) |
| Molecular Formula: C21H14ClN3O |
Mol. Weight: 359.80835 |
Heavy Atoms: 26 |
| Charge: 0 |
Is Chiral: False |
logP: 5.03128 |
| HBD: 1 |
HBA: 4 |
TPSA: 57.82 |
| #Bonds: 29 |
#Rotatable Bonds: 4 |
Shape Complexity: 0.05 |
| Stereocomplexity: 0.0 |
Ligand Type: Small Molecule |