Molecule
ID:97408
General Information
Molecular Formula
C₃H₂F₃NO₂
Molecular Mass
141.0486896
Exact Mass
141.00376297
Charge
0
InChI
InChI=1S/C3H2F3NO2/c4-3(5,6)1(8)2(7)9/h(H2,7,9)
InChIKey
CHPNOFQSSFZEBB-UHFFFAOYSA-N
Canonic Smiles
O=C(C(F)(F)F)C(=O)N
Isomeric Smiles
NC(=O)C(=O)C(F)(F)F
Calculated Properties
JChem
Acid pKa
7.2047215
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.39869872
LogD (pH = 7.4)
0.58018076
Log P
0.39125997
Molar Refractivity
20.8221
Polarizability
7.6657944
Polar Surface Area
60.16
Rotatable Bonds
2
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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