Molecule

ID:8978

General Information
Structure
Molecular Formula
C₇H₂Cl₂F₄
Molecular Mass
232.9903928
Exact Mass
231.9469683
Charge
0
InChI
InChI=1S/C7H2Cl2F4/c8-4-1-3(7(11,12)13)2-5(9)6(4)10/h1-2H
InChIKey
BWQFQKZDLBJZAW-UHFFFAOYSA-N
Canonic Smiles
Fc1c(Cl)cc(cc1Cl)C(F)(F)F
Isomeric Smiles
c1(c(c(cc(c1)C(F)(F)F)Cl)F)Cl
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
15.488247
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
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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