Molecule

ID:136307

General Information
Structure
Molecular Formula
C₁₁H₇FO₄
Molecular Mass
222.1692832
Exact Mass
222.03283692
Charge
0
InChI
InChI=1S/C11H7FO4/c1-15-11(14)10-5-8(13)7-4-6(12)2-3-9(7)16-10/h2-5H,1H3
InChIKey
IWYHARNYXQFPOB-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cc(=O)c2c(o1)ccc(c2)F
Isomeric Smiles
COC(=O)c1cc(=O)c2cc(ccc2o1)F
Calculated Properties
JChem
Acid pKa
11.762121
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.8190364
LogD (pH = 7.4)
1.8190391
Log P
1.8190364
Molar Refractivity
53.5789
Polarizability
19.860594
Polar Surface Area
52.6
Rotatable Bonds
2
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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