Molecule

ID:19008

General Information
Structure
MolImage
Molecular Formula
C₃H₇ClF₃N
Molecular Mass
149.5425896
Exact Mass
149.02191157
Charge
0
InChI
InChI=1S/C3H6F3N.ClH/c1-7-2-3(4,5)6;/h7H,2H2,1H3;1H
InChIKey
CUOWKFXFKFXJEL-UHFFFAOYSA-N
Canonic Smiles
CNCC(F)(F)F.Cl
Isomeric Smiles
C(F)(F)(F)CNC.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.55274457
LogD (pH = 7.4)
0.7588408
Log P
0.76221776
Molar Refractivity
20.1435
Polarizability
7.3910728
Polar Surface Area
12.03
Rotatable Bonds
2
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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