Molecule

ID:99088

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₇FO₅
Molecular Mass
332.3229832
Exact Mass
332.10600186
Charge
0
InChI
InChI=1S/C18H17FO5/c1-22-16-8-11(9-17(23-2)18(16)24-3)4-6-14(20)13-10-12(19)5-7-15(13)21/h4-10,21H,1-3H3
InChIKey
CVSVZUJZPUHVQG-UHFFFAOYSA-N
Canonic Smiles
COc1cc(/C=C/C(=O)c2cc(F)ccc2O)cc(c1OC)OC
Isomeric Smiles
O(c1cc(cc(c1OC)OC)/C=C/C(=O)c1cc(ccc1O)F)C
Calculated Properties
JChem
Acid pKa
7.9224067
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
3.904821
LogD (pH = 7.4)
3.7933242
Log P
3.9064481
Molar Refractivity
88.4639
Polarizability
33.19415
Polar Surface Area
64.99
Rotatable Bonds
6
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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