Molecule

ID:116922

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₉ClN₂
Molecular Mass
286.79916
Exact Mass
286.1236763
Charge
0
InChI
InChI=1S/C17H19ClN2/c18-16-9-5-4-8-15(16)17-13-20(11-10-19-17)12-14-6-2-1-3-7-14/h1-9,17,19H,10-13H2
InChIKey
CBTSJPPHCIFRDD-UHFFFAOYSA-N
Canonic Smiles
Clc1ccccc1C1NCCN(C1)Cc1ccccc1
Isomeric Smiles
C1(c2c(Cl)cccc2)NCCN(C1)Cc1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.0322167
LogD (pH = 7.4)
2.7999945
Log P
3.766999
Molar Refractivity
84.4437
Polarizability
33.341457
Polar Surface Area
15.27
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
暂无数据
点击上传数据
References
Bioactivity
Navigation