Molecule

ID:51395

General Information
Structure
MolImage
Molecular Formula
C₈H₅Cl₃F₂
Molecular Mass
245.4811064
Exact Mass
243.94248964
Charge
0
InChI
InChI=1S/C8H5Cl3F2/c1-8(12,13)4-2-3-5(9)7(11)6(4)10/h2-3H,1H3
InChIKey
PPSKPPQEBYJQNW-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1Cl)Cl)C(F)(F)C
Isomeric Smiles
c1(c(c(c(cc1)C(C)(F)F)Cl)Cl)Cl
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.4225307
LogD (pH = 7.4)
4.4225307
Log P
4.4225307
Molar Refractivity
50.5782
Polarizability
19.407236
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
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References
Bioactivity
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