Molecule

ID:114243

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₇ClN₂
Molecular Mass
272.77258
Exact Mass
272.10802623
Charge
0
InChI
InChI=1S/C16H17ClN2/c17-16-11-10-15(18-19-16)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h6-12H,1-5H2
InChIKey
HBLIXOTYNHMYNO-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(nn1)c1ccc(cc1)C1CCCCC1
Isomeric Smiles
n1nc(ccc1c1ccc(cc1)C1CCCCC1)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.7480874
LogD (pH = 7.4)
4.7480903
Log P
4.7480903
Molar Refractivity
80.5863
Polarizability
31.707243
Polar Surface Area
25.78
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