Molecule

ID:11169

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₉ClN₂
Molecular Mass
226.74566
Exact Mass
226.1236763
Charge
0
InChI
InChI=1S/C12H18N2.ClH/c1-11-4-2-3-5-12(11)10-14-8-6-13-7-9-14;/h2-5,13H,6-10H2,1H3;1H
InChIKey
ITRVJMRBZMXNQV-UHFFFAOYSA-N
Canonic Smiles
Cc1ccccc1CN1CCNCC1.Cl
Isomeric Smiles
N1(Cc2c(C)cccc2)CCNCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.4550198
LogD (pH = 7.4)
-0.097832456
Log P
1.8921356
Molar Refractivity
60.3973
Polarizability
23.672272
Polar Surface Area
15.27
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