Molecule

ID:8214

General Information
Structure
MolImage
Molecular Formula
C₂H₅ClF₃N
Molecular Mass
135.5160096
Exact Mass
135.00626151
Charge
0
InChI
InChI=1S/C2H4F3N.ClH/c3-2(4,5)1-6;/h1,6H2;1H
InChIKey
ZTUJDPKOHPKRMO-UHFFFAOYSA-N
Canonic Smiles
NCC(F)(F)F.Cl
Isomeric Smiles
FC(F)(F)CN.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.1359752
LogD (pH = 7.4)
0.3265743
Log P
0.32963738
Molar Refractivity
15.3689
Polarizability
5.685623
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
Molecule Details
References
Bioactivity
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