Molecule

ID:37012

General Information
Structure
MolImage
Molecular Formula
C₅H₃F₄N
Molecular Mass
153.0776328
Exact Mass
153.02016198
Charge
0
InChI
InChI=1S/C5H3F4N/c6-4(7)1-3(2-10)5(4,8)9/h3H,1H2
InChIKey
GSOKLACBKZQEAW-UHFFFAOYSA-N
Canonic Smiles
N#CC1CC(C1(F)F)(F)F
Isomeric Smiles
C1C(C(C1C#N)(F)F)(F)F
Calculated Properties
JChem
Acid pKa
11.416203
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.1865067
LogD (pH = 7.4)
1.1864659
Log P
1.1865072
Molar Refractivity
24.0216
Polarizability
8.782343
Polar Surface Area
23.79
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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