Molecule

ID:22280

General Information
Structure
MolImage
Molecular Formula
C₃H₆ClF₂N
Molecular Mass
129.5362464
Exact Mass
129.01568332
Charge
0
InChI
InChI=1S/C3H5F2N.ClH/c4-3(5)1-2(3)6;/h2H,1,6H2;1H
InChIKey
WSSNWLHFBOKGGL-UHFFFAOYSA-N
Canonic Smiles
NC1CC1(F)F.Cl
Isomeric Smiles
NC1C(C1)(F)F.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.4777142
LogD (pH = 7.4)
0.012057456
Log P
0.2337291
Molar Refractivity
16.7398
Polarizability
6.726302
Polar Surface Area
26.02
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
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Molecule Details
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References
Bioactivity
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