Molecule

ID:98669

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₁F₃O₃
Molecular Mass
332.2733496
Exact Mass
332.06602887
Charge
0
InChI
InChI=1S/C18H11F3O3/c19-18(20,21)16-14(17(22)23)10-15(24-16)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-10H,(H,22,23)
InChIKey
UGZOLBZNUYWBAP-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cc(oc1C(F)(F)F)c1ccc(cc1)c1ccccc1
Isomeric Smiles
o1c(cc(c1C(F)(F)F)C(=O)O)c1ccc(cc1)c1ccccc1
Calculated Properties
JChem
Acid pKa
4.17967
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.445431
LogD (pH = 7.4)
1.7361896
Log P
4.7833757
Molar Refractivity
81.8287
Polarizability
32.358883
Polar Surface Area
50.44
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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