Molecule
ID:72185
General Information
Molecular Formula
C₃H₂F₃N₃O
Molecular Mass
153.0626896
Exact Mass
153.01499636
Charge
0
InChI
InChI=1S/C3H2F3N3O/c4-3(5,6)1-8-2(7)9-10-1/h(H2,7,9)
InChIKey
PCOKNKJYNNUWEU-UHFFFAOYSA-N
Canonic Smiles
FC(c1onc(n1)N)(F)F
Isomeric Smiles
c1(nc(no1)N)C(F)(F)F
Calculated Properties
JChem
Acid pKa
12.72746
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.756525
LogD (pH = 7.4)
0.7565231
Log P
0.75652504
Molar Refractivity
26.7714
Polarizability
8.541164
Polar Surface Area
64.94
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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