 |
| Ligand Name:
MALACHITE GREEN |
| HET ID: MGR |
PubChem:
11295
|
| DrugBank: DB03895 |
ChEMBL: CHEMBL1181633 |
| Canonical SMILES: C[N+](=C1C=CC(=C(c2ccc(cc2)N(C)C)c2ccccc2)C=C1)C |
| Standard InChI: InChI=1S/C23H25N2/c1-24(2)21-14-10-19(11-15-21)23(18-8-6-5-7-9-18)20-12-16-22(17-13-20)25(3)4/h5-17H,1-4H3/q+1 |
| Molecular Formula: C23H25N2+ |
Mol. Weight: 329.458 |
Heavy Atoms: 25 |
| Charge: 1 |
Is Chiral: False |
logP: 4.3936 |
| HBD: 0 |
HBA: 1 |
TPSA: 6.25 |
| #Bonds: 27 |
#Rotatable Bonds: 3 |
Shape Complexity: 0.17391305 |
| Stereocomplexity: 0.0 |
Ligand Type: Small Molecule |