Molecule

ID:54911

General Information
Structure
MolImage
Molecular Formula
C₅Cl₂F₄N₂
Molecular Mass
234.9665128
Exact Mass
233.93746625
Charge
0
InChI
InChI=1S/C5Cl2F4N2/c6-2-1(8)3(7)13-4(12-2)5(9,10)11
InChIKey
OLRZQFAZUSRNRR-UHFFFAOYSA-N
Canonic Smiles
Fc1c(Cl)nc(nc1Cl)C(F)(F)F
Isomeric Smiles
c1(nc(c(c(n1)Cl)F)Cl)C(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.4815784
LogD (pH = 7.4)
3.4815784
Log P
3.4815784
Molar Refractivity
40.3055
Polarizability
14.18851
Polar Surface Area
25.78
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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