Molecule

ID:97838

General Information
Structure
MolImage
Molecular Formula
C₅H₂Cl₂FN
Molecular Mass
165.9804832
Exact Mass
164.95483265
Charge
0
InChI
InChI=1S/C5H2Cl2FN/c6-4-1-3(8)2-9-5(4)7/h1-2H
InChIKey
YIYIQENCPIISLL-UHFFFAOYSA-N
Canonic Smiles
Fc1cnc(c(c1)Cl)Cl
Isomeric Smiles
n1c(c(cc(c1)F)Cl)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.326542
LogD (pH = 7.4)
2.326542
Log P
2.326542
Molar Refractivity
34.7884
Polarizability
13.156068
Polar Surface Area
12.89
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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