Molecule

ID:10378

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉F₃O₃
Molecular Mass
234.1718696
Exact Mass
234.05037881
Charge
0
InChI
InChI=1S/C10H9F3O3/c1-16-9(8(14)15,10(11,12)13)7-5-3-2-4-6-7/h2-6H,1H3,(H,14,15)/t9-/m1/s1
InChIKey
JJYKJUXBWFATTE-SECBINFHSA-N
Canonic Smiles
CO[C@](C(F)(F)F)(c1ccccc1)C(=O)O
Isomeric Smiles
c1cccc(c1)[C@@](C(=O)O)(C(F)(F)F)OC
Calculated Properties
JChem
Acid pKa
3.3649635
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.44897783
LogD (pH = 7.4)
-0.84149176
Log P
2.5700164
Molar Refractivity
48.8698
Polarizability
18.41779
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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