 |
| Ligand Name:
3-(dimethylamino)butyl dimethylcarbamate |
| HET ID: XRX |
PubChem:
9836977
|
| DrugBank: - |
ChEMBL: CHEMBL2312568 |
| Canonical SMILES: C[C@@H](N(C)C)CCOC(=O)N(C)C |
| Standard InChI: InChI=1S/C9H20N2O2/c1-8(10(2)3)6-7-13-9(12)11(4)5/h8H,6-7H2,1-5H3/t8-/m1/s1 |
| Molecular Formula: C9H20N2O2 |
Mol. Weight: 188.2673 |
Heavy Atoms: 13 |
| Charge: 0 |
Is Chiral: True |
logP: 1.0248 |
| HBD: 0 |
HBA: 4 |
TPSA: 32.78 |
| #Bonds: 13 |
#Rotatable Bonds: 6 |
Shape Complexity: 0.8888889 |
| Stereocomplexity: 0.11111111 |
Ligand Type: Small Molecule |