Molecule

ID:94962

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇F₃O₃
Molecular Mass
232.1559896
Exact Mass
232.03472874
Charge
0
InChI
InChI=1S/C10H7F3O3/c11-10(12,13)16-8-4-2-1-3-7(8)5-6-9(14)15/h1-6H,(H,14,15)
InChIKey
RTCUAUKXVCMIBS-UHFFFAOYSA-N
Canonic Smiles
OC(=O)/C=C/c1ccccc1OC(F)(F)F
Isomeric Smiles
O=C(/C=C/c1c(cccc1)OC(F)(F)F)O
Calculated Properties
JChem
Acid pKa
3.7144802
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.7823808
LogD (pH = 7.4)
0.2676163
Log P
3.5671978
Molar Refractivity
46.1302
Polarizability
18.218222
Polar Surface Area
46.53
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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