Molecule

ID:8299

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉FO₄
Molecular Mass
212.1744632
Exact Mass
212.04848699
Charge
0
InChI
InChI=1S/C10H9FO4/c1-14-9(12)6-3-4-7(8(11)5-6)10(13)15-2/h3-5H,1-2H3
InChIKey
NCRFSIQSCLJDIC-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc(c(c1)F)C(=O)OC
Isomeric Smiles
c1(c(cc(C(=O)OC)cc1)F)C(=O)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.1229017
LogD (pH = 7.4)
2.1229017
Log P
2.1229017
Molar Refractivity
50.325
Polarizability
18.983454
Polar Surface Area
52.6
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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