Molecule
ID:66864
General Information
Molecular Formula
C₄H₃F₃N₂O
Molecular Mass
152.0746296
Exact Mass
152.01974739
Charge
0
InChI
InChI=1S/C4H3F3N2O/c5-4(6,7)2-1-9-3(8)10-2/h1H,(H2,8,9)
InChIKey
OUSMDDBAOJWGMN-UHFFFAOYSA-N
Canonic Smiles
FC(c1cnc(o1)N)(F)F
Isomeric Smiles
o1c(ncc1C(F)(F)F)N
Calculated Properties
JChem
Acid pKa
13.792765
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.5682807
LogD (pH = 7.4)
0.5683103
Log P
0.56831086
Molar Refractivity
26.7923
Polarizability
9.196034
Polar Surface Area
52.05
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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