Molecule

ID:97083

General Information
Structure
Molecular Formula
C₁₇H₁₁F₃O₃
Molecular Mass
320.2626496
Exact Mass
320.06602887
Charge
0
InChI
InChI=1S/C17H11F3O3/c18-17(19,20)14-9-16(21)23-15-8-12(6-7-13(14)15)22-10-11-4-2-1-3-5-11/h1-9H,10H2
InChIKey
WVKLERKKJXUPIK-UHFFFAOYSA-N
Canonic Smiles
O=c1oc2cc(OCc3ccccc3)ccc2c(c1)C(F)(F)F
Isomeric Smiles
o1c(=O)cc(c2c1cc(cc2)OCc1ccccc1)C(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.0139832
LogD (pH = 7.4)
4.0139832
Log P
4.0139832
Molar Refractivity
77.8389
Polarizability
28.895367
Polar Surface Area
35.53
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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