Molecule

ID:73763

General Information
Structure
MolImage
Molecular Formula
C₉H₈Cl₂
Molecular Mass
187.06582
Exact Mass
186.00030562
Charge
0
InChI
InChI=1S/C9H8Cl2/c1-7(10)6-8-4-2-3-5-9(8)11/h2-5H,1,6H2
InChIKey
DZRCJACLQNFFNG-UHFFFAOYSA-N
Canonic Smiles
ClC(=C)Cc1ccccc1Cl
Isomeric Smiles
Clc1c(cccc1)CC(=C)Cl
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.756717
LogD (pH = 7.4)
3.756717
Log P
3.756717
Molar Refractivity
50.0203
Polarizability
19.298498
Polar Surface Area
0.0
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
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