Molecule
ID:97801
General Information
Molecular Formula
C₃H₅F₃O₂
Molecular Mass
130.0658096
Exact Mass
130.02416406
Charge
0
InChI
InChI=1S/C3H3F3O.H2O/c4-3(5,6)1-2-7;/h2H,1H2;1H2
InChIKey
MYCVXMBPUAROSP-UHFFFAOYSA-N
Canonic Smiles
O=CCC(F)(F)F.O
Isomeric Smiles
FC(CC=O)(F)F.O
Calculated Properties
JChem
Acid pKa
8.240986
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.6822137
LogD (pH = 7.4)
0.6245339
Log P
0.683001
Molar Refractivity
17.2777
Polarizability
6.211331
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
No Data Available
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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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