Molecule

ID:131575

General Information
Structure
MolImage
Molecular Formula
C₉H₁₄Cl₂N₂O
Molecular Mass
237.12626
Exact Mass
236.04831844
Charge
0
InChI
InChI=1S/C9H12N2O.2ClH/c1-2-9(6-10-4-1)12-7-8-3-5-11-8;;/h1-2,4,6,8,11H,3,5,7H2;2*1H
InChIKey
GVEVDINKRFDXFP-UHFFFAOYSA-N
Canonic Smiles
C1CC(N1)COc1cccnc1.Cl.Cl
Isomeric Smiles
c1cc(cnc1)OCC1CCN1.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.0817418
LogD (pH = 7.4)
-2.1485188
Log P
0.18170057
Molar Refractivity
45.6553
Polarizability
18.268715
Polar Surface Area
34.15
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation