Molecule

ID:97160

General Information
Structure
Molecular Formula
C₇H₅Cl₂F
Molecular Mass
179.0190032
Exact Mass
177.97523374
Charge
0
InChI
InChI=1S/C7H5Cl2F/c8-4-5-1-2-6(10)3-7(5)9/h1-3H,4H2
InChIKey
HMIAXVWVTBIGON-UHFFFAOYSA-N
Canonic Smiles
ClCc1ccc(cc1Cl)F
Isomeric Smiles
Clc1c(ccc(c1)F)CCl
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.3072345
LogD (pH = 7.4)
3.3072345
Log P
3.3072345
Molar Refractivity
40.9461
Polarizability
15.628113
Polar Surface Area
0.0
Rotatable Bonds
1
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