Molecule

ID:136301

General Information
Structure
MolImage
Molecular Formula
C₄HCl₂FN₂
Molecular Mass
169.94801583
Exact Mass
168.94750625
Charge
0
InChI
InChI=1S/C4HCl2FN2/c5-3-2(7)1-8-4(6)9-3/h1H/i4+1,8+1,9+1
InChIKey
WHPFEQUEHBULBW-WKPWXFLVSA-N
Canonic Smiles
Cl[13c]1[15n]cc(c([15n]1)Cl)F
Isomeric Smiles
c1c(c([15n][13c]([15n]1)Cl)Cl)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.9252096
LogD (pH = 7.4)
1.9252096
Log P
1.9252096
Molar Refractivity
34.3034
Polarizability
12.483629
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
References
Bioactivity
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