Molecule

ID:8069

General Information
Structure
Molecular Formula
C₃HF₄N
Molecular Mass
127.0403528
Exact Mass
127.00451192
Charge
0
InChI
InChI=1S/C3HF4N/c4-2(1-8)3(5,6)7/h2H
InChIKey
CFPAMJZAMYOJER-UHFFFAOYSA-N
Canonic Smiles
FC(C(F)(F)F)C#N
Isomeric Smiles
C(#N)C(F)C(F)(F)F
Calculated Properties
JChem
Acid pKa
19.515472
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.0754994
LogD (pH = 7.4)
1.0754994
Log P
1.0754994
Molar Refractivity
16.8285
Polarizability
6.0772796
Polar Surface Area
23.79
Rotatable Bonds
1
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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