Molecule
ID:13672
General Information
Molecular Formula
C₄H₆F₃NO
Molecular Mass
141.0917496
Exact Mass
141.04014848
Charge
0
InChI
InChI=1S/C4H6F3NO/c1-8(2)3(9)4(5,6)7/h1-2H3
InChIKey
WXBWKMLIVXELSF-UHFFFAOYSA-N
Canonic Smiles
CN(C(=O)C(F)(F)F)C
Isomeric Smiles
O=C(C(F)(F)F)N(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.54939246
LogD (pH = 7.4)
0.54939246
Log P
0.54939246
Molar Refractivity
25.2695
Polarizability
9.077329
Polar Surface Area
20.31
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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