Molecule

ID:96480

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₃FO₄
Molecular Mass
240.2276232
Exact Mass
240.07978712
Charge
0
InChI
InChI=1S/C12H13FO4/c1-16-11(14)10(12(15)17-2)7-8-3-5-9(13)6-4-8/h3-6,10H,7H2,1-2H3
InChIKey
WDFUURBBGZTSIA-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C(C(=O)OC)Cc1ccc(cc1)F
Isomeric Smiles
O(C(=O)C(C(=O)OC)Cc1ccc(cc1)F)C
Calculated Properties
JChem
Acid pKa
16.382908
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.2247317
LogD (pH = 7.4)
2.2247317
Log P
2.2247317
Molar Refractivity
58.0129
Polarizability
22.669704
Polar Surface Area
52.6
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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