Molecule

ID:93034

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉F₃O₃
Molecular Mass
234.1718696
Exact Mass
234.05037881
Charge
0
InChI
InChI=1S/C10H9F3O3/c11-10(12,13)16-8-3-1-2-7(6-8)4-5-9(14)15/h1-3,6H,4-5H2,(H,14,15)
InChIKey
WGEVFUNNEITJFQ-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCc1cccc(c1)OC(F)(F)F
Isomeric Smiles
O(c1cc(ccc1)CCC(=O)O)C(F)(F)F
Calculated Properties
JChem
Acid pKa
3.8593469
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.8417732
LogD (pH = 7.4)
0.25255495
Log P
3.4866743
Molar Refractivity
45.0369
Polarizability
18.41095
Polar Surface Area
46.53
Rotatable Bonds
5
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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