 |
| Ligand Name:
(3E)-3-(dibenzo[b,e]oxepin-11(6H)-ylidene)-N,N-dimethylpropan-1-amine |
| HET ID: 5EH |
PubChem:
667477
|
| DrugBank: DB01142 |
ChEMBL: CHEMBL860 |
| Canonical SMILES: CN(C)CC/C=C/1\c2ccccc2COc3c1cccc3 |
| Standard InChI: InChI=1S/C19H21NO/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3/b17-11+ |
| Molecular Formula: C19H21NO |
Mol. Weight: 279.37613 |
Heavy Atoms: 21 |
| Charge: 0 |
Is Chiral: False |
logP: 3.9624 |
| HBD: 0 |
HBA: 2 |
TPSA: 12.47 |
| #Bonds: 23 |
#Rotatable Bonds: 3 |
Shape Complexity: 0.2631579 |
| Stereocomplexity: 0.0 |
Ligand Type: Small Molecule |