Molecule

ID:53786

General Information
Structure
MolImage
Molecular Formula
C₃H₂F₃N₃
Molecular Mass
137.0632896
Exact Mass
137.02008174
Charge
0
InChI
InChI=1S/C3H2F3N3/c4-3(5,6)2-7-1-8-9-2/h1H,(H,7,8,9)
InChIKey
KZAQTVQJVOALDK-UHFFFAOYSA-N
Canonic Smiles
FC(c1n[nH]cn1)(F)F
Isomeric Smiles
c1(C(F)(F)F)nc[nH]n1
Calculated Properties
JChem
Acid pKa
8.219771
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.1836027
LogD (pH = 7.4)
1.1243914
Log P
1.1844152
Molar Refractivity
24.5541
Polarizability
7.992737
Polar Surface Area
41.57
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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