Molecule
ID:61815
General Information
Molecular Formula
C₅H₇F₃O
Molecular Mass
140.1036896
Exact Mass
140.0448995
Charge
0
InChI
InChI=1S/C5H7F3O/c1-3(2)4(9)5(6,7)8/h3H,1-2H3
InChIKey
NLCCAFQWEKMQLM-UHFFFAOYSA-N
Canonic Smiles
CC(C(=O)C(F)(F)F)C
Isomeric Smiles
C(C(=O)C(C)C)(F)(F)F
Calculated Properties
JChem
Acid pKa
14.3792515
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.4821305
LogD (pH = 7.4)
2.4821305
Log P
2.4821305
Molar Refractivity
26.4064
Polarizability
9.636503
Polar Surface Area
17.07
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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