Molecule

ID:55862

General Information
Structure
MolImage
Molecular Formula
C₃H₇ClF₃N
Molecular Mass
149.5425896
Exact Mass
149.02191157
Charge
0
InChI
InChI=1S/C3H6F3N.ClH/c1-2(7)3(4,5)6;/h2H,7H2,1H3;1H
InChIKey
VLVCERQEOKPRTG-UHFFFAOYSA-N
Canonic Smiles
CC(C(F)(F)F)N.Cl
Isomeric Smiles
C(C(C)N)(F)(F)F.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.46884844
LogD (pH = 7.4)
0.7413482
Log P
0.7462124
Molar Refractivity
19.7877
Polarizability
7.391145
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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