Molecule

ID:8202

General Information
Structure
MolImage
Molecular Formula
C₄H₅F₃O
Molecular Mass
126.0771096
Exact Mass
126.02924944
Charge
0
InChI
InChI=1S/C4H5F3O/c1-3(8)2-4(5,6)7/h2H2,1H3
InChIKey
BTXXTMOWISPQSJ-UHFFFAOYSA-N
Canonic Smiles
CC(=O)CC(F)(F)F
Isomeric Smiles
O=C(CC(F)(F)F)C
Calculated Properties
JChem
Acid pKa
13.545347
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.1712427
LogD (pH = 7.4)
1.1712425
Log P
1.1712427
Molar Refractivity
21.7542
Polarizability
7.906168
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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