Molecule

ID:96533

General Information
Structure
MolImage
Molecular Formula
C₁₁H₆Cl₂F₃N
Molecular Mass
280.0732496
Exact Mass
278.98293922
Charge
0
InChI
InChI=1S/C11H6Cl2F3N/c12-7-5-8(11(14,15)16)10(9(13)6-7)17-3-1-2-4-17/h1-6H
InChIKey
XUJADPOYOMFBOR-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(Cl)c(c(c1)C(F)(F)F)n1cccc1
Isomeric Smiles
n1(c2c(cc(cc2Cl)Cl)C(F)(F)F)cccc1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.4806
LogD (pH = 7.4)
4.4806
Log P
4.4806
Molar Refractivity
71.3937
Polarizability
23.238312
Polar Surface Area
4.93
Rotatable Bonds
2
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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