Molecule

ID:93159

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)16-9-3-1-7(2-4-9)8(5-14)6-15/h1-6,14H
InChIKey
YTIDQYKSJQHODQ-UHFFFAOYSA-N
Canonic Smiles
O/C=C(\c1ccc(cc1)OC(F)(F)F)/C=O
Isomeric Smiles
O=C/C(=C/O)/c1ccc(cc1)OC(F)(F)F
Calculated Properties
JChem
Acid pKa
7.135107
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.873174
LogD (pH = 7.4)
2.429987
Log P
2.883118
Molar Refractivity
45.8661
Polarizability
18.367962
Polar Surface Area
46.53
Rotatable Bonds
4
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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