Molecule

ID:11916

General Information
Structure
MolImage
Molecular Formula
C₂H₆ClF₂N
Molecular Mass
117.5255464
Exact Mass
117.01568332
Charge
0
InChI
InChI=1S/C2H5F2N.ClH/c3-2(4)1-5;/h2H,1,5H2;1H
InChIKey
YSVKPVHTHFECBE-UHFFFAOYSA-N
Canonic Smiles
NCC(F)F.Cl
Isomeric Smiles
NCC(F)F.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-2.1617
LogD (pH = 7.4)
-0.5356382
Log P
-0.15912312
Molar Refractivity
14.4792
Polarizability
5.6316657
Polar Surface Area
26.02
Rotatable Bonds
1
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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