Molecule

ID:37335

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₅F₃O₄
Molecular Mass
340.2938096
Exact Mass
340.09224362
Charge
0
InChI
InChI=1S/C17H15F3O4/c1-2-23-15-9-12(16(21)22)6-7-14(15)24-10-11-4-3-5-13(8-11)17(18,19)20/h3-9H,2,10H2,1H3,(H,21,22)
InChIKey
RUNPSBFTTFYTKX-UHFFFAOYSA-N
Canonic Smiles
CCOc1cc(ccc1OCc1cccc(c1)C(F)(F)F)C(=O)O
Isomeric Smiles
c1cc(cc(c1OCc1cccc(c1)C(F)(F)F)OCC)C(=O)O
Calculated Properties
JChem
Acid pKa
4.1320596
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
2.891433
LogD (pH = 7.4)
1.1961032
Log P
4.274616
Molar Refractivity
81.5755
Polarizability
30.277527
Polar Surface Area
55.76
Rotatable Bonds
7
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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