Molecule

ID:76167

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₃Cl₂N
Molecular Mass
254.15502
Exact Mass
253.04250478
Charge
0
InChI
InChI=1S/C13H12ClN.ClH/c14-13-7-5-12(6-8-13)11-3-1-10(9-15)2-4-11;/h1-8H,9,15H2;1H
InChIKey
PUSWBWIRYUMVRE-UHFFFAOYSA-N
Canonic Smiles
NCc1ccc(cc1)c1ccc(cc1)Cl.Cl
Isomeric Smiles
Clc1ccc(cc1)c1ccc(cc1)CN.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.3635987
LogD (pH = 7.4)
1.3123634
Log P
3.3502843
Molar Refractivity
64.4724
Polarizability
26.582663
Polar Surface Area
26.02
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