Molecule

ID:96544

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉FO₄
Molecular Mass
212.1744632
Exact Mass
212.04848699
Charge
0
InChI
InChI=1S/C10H9FO4/c1-6(12)14-9-5-3-4-8(11)10(9)15-7(2)13/h3-5H,1-2H3
InChIKey
SFTJLHYKOIAVMI-UHFFFAOYSA-N
Canonic Smiles
CC(=O)Oc1c(cccc1F)OC(=O)C
Isomeric Smiles
O(c1c(cccc1F)OC(=O)C)C(=O)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.3304697
LogD (pH = 7.4)
1.3304697
Log P
1.3304697
Molar Refractivity
48.5392
Polarizability
18.996801
Polar Surface Area
52.6
Rotatable Bonds
4
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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