Molecule

ID:98946

General Information
Structure
MolImage
Molecular Formula
C₉H₉FO₃
Molecular Mass
184.1643632
Exact Mass
184.05357237
Charge
0
InChI
InChI=1S/C9H9FO3/c1-12-8-4-3-6(5-7(8)10)9(11)13-2/h3-5H,1-2H3
InChIKey
MIKOKYAREMINFF-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc(c(c1)F)OC
Isomeric Smiles
O=C(c1cc(c(cc1)OC)F)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.9617535
LogD (pH = 7.4)
1.9617535
Log P
1.9617535
Molar Refractivity
44.7629
Polarizability
17.019192
Polar Surface Area
35.53
Rotatable Bonds
3
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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