Molecule

ID:54909

General Information
Structure
MolImage
Molecular Formula
C₄HCl₂FN₂
Molecular Mass
166.9685432
Exact Mass
165.95008162
Charge
0
InChI
InChI=1S/C4HCl2FN2/c5-3-2(7)4(6)9-1-8-3/h1H
InChIKey
DGMIGAHDDPJOPN-UHFFFAOYSA-N
Canonic Smiles
Clc1ncnc(c1F)Cl
Isomeric Smiles
c1(c(ncnc1Cl)Cl)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.8408811
LogD (pH = 7.4)
1.8408811
Log P
1.8408811
Molar Refractivity
34.6709
Polarizability
12.456221
Polar Surface Area
25.78
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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