Molecule

ID:29752

General Information
Structure
MolImage
Molecular Formula
C₉H₅F₃O₂
Molecular Mass
202.1300096
Exact Mass
202.02416406
Charge
0
InChI
InChI=1S/C9H5F3O2/c10-9(11,12)7-3-1-2-6(4-7)8(14)5-13/h1-5H
InChIKey
KSLRFRNLMJHNLZ-UHFFFAOYSA-N
Canonic Smiles
O=CC(=O)c1cccc(c1)C(F)(F)F
Isomeric Smiles
C(=O)(C=O)c1cc(ccc1)C(F)(F)F
Calculated Properties
JChem
Acid pKa
14.185219
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.4984126
LogD (pH = 7.4)
2.4984124
Log P
2.4984126
Molar Refractivity
43.2908
Polarizability
15.4472
Polar Surface Area
34.14
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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