Molecule

ID:32020

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(8(11)5-7)3-4-9(12,13)14/h1-2,5H,3-4H2
InChIKey
WDIXWWOSKOFIEO-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)Cl)CCC(F)(F)F
Isomeric Smiles
c1(c(cc(cc1)Cl)Cl)CCC(F)(F)F
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
18.993809
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
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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