Molecule

ID:29822

General Information
Structure
MolImage
Molecular Formula
C₆HCl₂F₄N
Molecular Mass
233.9784528
Exact Mass
232.94221728
Charge
0
InChI
InChI=1S/C6HCl2F4N/c7-4-2(6(10,11)12)1-3(9)5(8)13-4/h1H
InChIKey
VVXQCTFINCODIF-UHFFFAOYSA-N
Canonic Smiles
Clc1nc(Cl)c(cc1C(F)(F)F)F
Isomeric Smiles
c1(c(cc(c(n1)Cl)C(F)(F)F)F)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.4245675
LogD (pH = 7.4)
3.4245675
Log P
3.4245675
Molar Refractivity
41.8234
Polarizability
14.857551
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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