Molecule

ID:68032

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₉ClN₂
Molecular Mass
226.74566
Exact Mass
226.1236763
Charge
0
InChI
InChI=1S/C12H18N2.ClH/c1-13-7-9-14(10-8-13)11-12-5-3-2-4-6-12;/h2-6H,7-11H2,1H3;1H
InChIKey
NSKWYRZISOURNW-UHFFFAOYSA-N
Canonic Smiles
CN1CCN(CC1)Cc1ccccc1.Cl
Isomeric Smiles
N1(CCN(CC1)Cc1ccccc1)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-1.185479
LogD (pH = 7.4)
0.549133
Log P
1.7617621
Molar Refractivity
60.6508
Polarizability
23.75333
Polar Surface Area
6.48
Rotatable Bonds
2
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
暂无数据
点击上传数据
References
Bioactivity
Navigation