Molecule

ID:8948

General Information
Structure
Molecular Formula
C₁₀H₄Cl₂F₃N
Molecular Mass
266.0466696
Exact Mass
264.96728915
Charge
0
InChI
InChI=1S/C10H4Cl2F3N/c11-6-3-1-2-5-7(12)4-8(10(13,14)15)16-9(5)6/h1-4H
InChIKey
ILLBOMMZLXFMAY-UHFFFAOYSA-N
Canonic Smiles
Clc1cccc2c1nc(cc2Cl)C(F)(F)F
Isomeric Smiles
c1cc(c2c(c1)c(cc(n2)C(F)(F)F)Cl)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.602689
LogD (pH = 7.4)
4.602689
Log P
4.602689
Molar Refractivity
55.1906
Polarizability
21.88657
Polar Surface Area
12.89
Rotatable Bonds
1
Lipinski's Rule of Five
true
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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