Molecule

ID:94912

General Information
Structure
MolImage
Molecular Formula
C₁₀H₄Cl₂F₃N
Molecular Mass
266.0466696
Exact Mass
264.96728915
Charge
0
InChI
InChI=1S/C10H4Cl2F3N/c11-5-1-2-8-6(3-5)7(12)4-9(16-8)10(13,14)15/h1-4H
InChIKey
HYBXFYJUELGZOC-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc2c(c1)c(Cl)cc(n2)C(F)(F)F
Isomeric Smiles
n1c(cc(c2c1ccc(c2)Cl)Cl)C(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.6026883
LogD (pH = 7.4)
4.602689
Log P
4.602689
Molar Refractivity
55.1906
Polarizability
21.863653
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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