Molecule

ID:100126

General Information
Structure
MolImage
Molecular Formula
C₁₂H₇Cl₂F₃
Molecular Mass
279.0851896
Exact Mass
277.98769024
Charge
0
InChI
InChI=1S/C12H7Cl2F3/c1-6-2-9-7(4-10(6)13)3-8(5-11(9)14)12(15,16)17/h2-5H,1H3
InChIKey
LLJDVCQMPBCWRQ-UHFFFAOYSA-N
Canonic Smiles
Clc1cc2cc(cc(c2cc1C)Cl)C(F)(F)F
Isomeric Smiles
Clc1cc(cc2c1cc(c(c2)Cl)C)C(F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
5.562082
LogD (pH = 7.4)
5.562082
Log P
5.562082
Molar Refractivity
63.1327
Polarizability
24.400833
Polar Surface Area
0.0
Rotatable Bonds
1
Lipinski's Rule of Five
false
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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