Molecule

ID:98121

General Information
Structure
MolImage
Molecular Formula
C₁₁H₄Cl₄F₃N
Molecular Mass
348.9633696
Exact Mass
346.90499451
Charge
0
InChI
InChI=1S/C11H4Cl4F3N/c12-7-4-9(10(13,14)15)19-8-2-1-5(3-6(7)8)11(16,17)18/h1-4H
InChIKey
PWFMSBSBMGUFFI-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(nc2c1cc(cc2)C(F)(F)F)C(Cl)(Cl)Cl
Isomeric Smiles
n1c(cc(c2cc(ccc12)C(F)(F)F)Cl)C(Cl)(Cl)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
5.4965262
LogD (pH = 7.4)
5.496552
Log P
5.496552
Molar Refractivity
70.8639
Polarizability
27.529684
Polar Surface Area
12.89
Rotatable Bonds
2
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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