Molecule

ID:8534

General Information
Structure
Molecular Formula
C₁₃H₁₁Cl
Molecular Mass
202.67944
Exact Mass
202.05492803
Charge
0
InChI
InChI=1S/C13H11Cl/c14-13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h1-9H,10H2
InChIKey
NPOGRKGIBGKRNI-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)Cc1ccccc1
Isomeric Smiles
C(c1ccccc1)c1ccc(cc1)Cl
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.6690845
LogD (pH = 7.4)
4.6690845
Log P
4.6690845
Molar Refractivity
60.6
Polarizability
23.57274
Polar Surface Area
0.0
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