Molecule

ID:95651

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₃FO₄
Molecular Mass
240.2276232
Exact Mass
240.07978712
Charge
0
InChI
InChI=1S/C12H13FO4/c1-8(14)16-6-10-4-3-5-11(12(10)13)7-17-9(2)15/h3-5H,6-7H2,1-2H3
InChIKey
PZOKAYPTLWBNPV-UHFFFAOYSA-N
Canonic Smiles
CC(=O)OCc1cccc(c1F)COC(=O)C
Isomeric Smiles
O(C(=O)C)Cc1c(c(ccc1)COC(=O)C)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.4634991
LogD (pH = 7.4)
1.4634991
Log P
1.4634991
Molar Refractivity
58.2092
Polarizability
22.659388
Polar Surface Area
52.6
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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