Molecule

ID:7399

General Information
Structure
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Molecular Formula
C₅H₅F₃O₂
Molecular Mass
154.0872096
Exact Mass
154.02416406
Charge
0
InChI
InChI=1S/C5H5F3O2/c1-10-4(9)2-3-5(6,7)8/h2-3H,1H3/b3-2+
InChIKey
DMMZYYLXAGRBDO-NSCUHMNNSA-N
Canonic Smiles
COC(=O)/C=C/C(F)(F)F
Isomeric Smiles
C(=C\C(=O)OC)/C(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.6632367
LogD (pH = 7.4)
1.6632367
Log P
1.6632367
Molar Refractivity
28.6665
Polarizability
10.195055
Polar Surface Area
26.3
Rotatable Bonds
3
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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