Molecule

ID:7092

General Information
Structure
MolImage
Molecular Formula
C₈H₃Cl₂F₃O
Molecular Mass
243.0100296
Exact Mass
241.95130474
Charge
0
InChI
InChI=1S/C8H3Cl2F3O/c9-4-1-2-6(8(11,12)13)5(3-4)7(10)14/h1-3H
InChIKey
HSKPEPFDFCWQGY-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)C(=O)Cl)C(F)(F)F
Isomeric Smiles
c1(ccc(c(c1)C(=O)Cl)C(F)(F)F)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.6460516
LogD (pH = 7.4)
3.6460516
Log P
3.6460516
Molar Refractivity
47.9512
Polarizability
17.456852
Polar Surface Area
17.07
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