Molecule

ID:97921

General Information
Structure
MolImage
Molecular Formula
C₇H₂Cl₂F₄
Molecular Mass
232.9903928
Exact Mass
231.9469683
Charge
0
InChI
InChI=1S/C7H2Cl2F4/c8-4-2-1-3(7(11,12)13)5(9)6(4)10/h1-2H
InChIKey
VBEOVOXDYKDHON-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1F)Cl)C(F)(F)F
Isomeric Smiles
FC(c1c(c(c(cc1)Cl)F)Cl)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.2018857
LogD (pH = 7.4)
4.2018857
Log P
4.2018857
Molar Refractivity
41.8577
Polarizability
15.497002
Polar Surface Area
0.0
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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