Molecule
ID:94625
General Information
Molecular Formula
C₅HCl₂F₂N
Molecular Mass
183.9709464
Exact Mass
182.94541084
Charge
0
InChI
InChI=1S/C5HCl2F2N/c6-2-1-3(7)5(9)10-4(2)8/h1H
InChIKey
AYTUSKIZXVPKBR-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(Cl)c(nc1F)F
Isomeric Smiles
n1c(c(cc(c1F)Cl)Cl)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.036928
LogD (pH = 7.4)
3.036928
Log P
3.036928
Molar Refractivity
35.9729
Polarizability
13.033175
Polar Surface Area
12.89
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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