Molecule

ID:7747

General Information
Structure
Molecular Formula
C₂H₃F₃N₂
Molecular Mass
112.0538296
Exact Mass
112.02483277
Charge
0
InChI
InChI=1S/C2H3F3N2/c3-2(4,5)1(6)7/h(H3,6,7)
InChIKey
NITMACBPVVUGOJ-UHFFFAOYSA-N
Canonic Smiles
NC(=N)C(F)(F)F
Isomeric Smiles
C(=N)(C(F)(F)F)N
Calculated Properties
JChem
Acid pKa
19.696198
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.17186677
LogD (pH = 7.4)
0.17186847
Log P
0.17186849
Molar Refractivity
28.0702
Polarizability
6.1755424
Polar Surface Area
49.87
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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