Molecule

ID:32016

General Information
Structure
MolImage
Molecular Formula
C₉H₇Cl₂F₃
Molecular Mass
243.0530896
Exact Mass
241.98769024
Charge
0
InChI
InChI=1S/C9H7Cl2F3/c10-7-2-1-6(5-8(7)11)3-4-9(12,13)14/h1-2,5H,3-4H2
InChIKey
VXQTUEFTNTYYHW-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1Cl)CCC(F)(F)F
Isomeric Smiles
c1(c(cc(cc1)CCC(F)(F)F)Cl)Cl
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.7740555
LogD (pH = 7.4)
4.7740555
Log P
4.7740555
Molar Refractivity
50.6941
Polarizability
19.0187
Polar Surface Area
0.0
Rotatable Bonds
3
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