Molecule

ID:96545

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₀Cl₂F₃N
Molecular Mass
308.1264096
Exact Mass
307.01423935
Charge
0
InChI
InChI=1S/C13H10Cl2F3N/c1-7-3-4-8(2)19(7)12-10(13(16,17)18)5-9(14)6-11(12)15/h3-6H,1-2H3
InChIKey
XXEPZQWDHYRSFU-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(Cl)c(c(c1)C(F)(F)F)n1c(C)ccc1C
Isomeric Smiles
n1(c2c(cc(cc2Cl)Cl)C(F)(F)F)c(ccc1C)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.5096
LogD (pH = 7.4)
4.5096
Log P
4.5096
Molar Refractivity
81.6931
Polarizability
26.713324
Polar Surface Area
4.93
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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