Molecule

ID:13781

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)1-6-2-3;/h6H,1-2H2;1H
InChIKey
CDBAEFXTCRKJPZ-UHFFFAOYSA-N
Canonic Smiles
FC1(F)CNC1.Cl
Isomeric Smiles
N1CC(C1)(F)F.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.28976655
LogD (pH = 7.4)
0.3356222
Log P
0.3362393
Molar Refractivity
17.3924
Polarizability
6.7264705
Polar Surface Area
12.03
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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