Molecule

ID:98605

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉FO₃
Molecular Mass
196.1750632
Exact Mass
196.05357237
Charge
0
InChI
InChI=1S/C10H9FO3/c1-14-10(13)6-9(12)7-2-4-8(11)5-3-7/h2-5H,6H2,1H3
InChIKey
HGLVYXXPRSNKQN-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CC(=O)c1ccc(cc1)F
Isomeric Smiles
O(C(=O)CC(=O)c1ccc(cc1)F)C
Calculated Properties
JChem
Acid pKa
10.747591
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.7117153
LogD (pH = 7.4)
1.7115228
Log P
1.7117177
Molar Refractivity
47.7904
Polarizability
18.257805
Polar Surface Area
43.37
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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