Molecule

ID:96222

General Information
Structure
MolImage
Molecular Formula
C₉H₇F₃O₃
Molecular Mass
220.1452896
Exact Mass
220.03472874
Charge
0
InChI
InChI=1S/C9H5F3O2.H2O/c10-9(11,12)8(14)7(13)6-4-2-1-3-5-6;/h1-5H;1H2
InChIKey
PSKYXWMZYBYVDK-UHFFFAOYSA-N
Canonic Smiles
O=C(C(=O)C(F)(F)F)c1ccccc1.O
Isomeric Smiles
O=C(C(F)(F)F)C(=O)c1ccccc1.O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.9524417
LogD (pH = 7.4)
2.9524417
Log P
2.9524417
Molar Refractivity
42.817
Polarizability
15.46221
Polar Surface Area
34.14
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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