Molecule

ID:61971

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₁FO₃
Molecular Mass
210.2016432
Exact Mass
210.06922243
Charge
0
InChI
InChI=1S/C11H11FO3/c1-15-11(14)7-10(13)6-8-2-4-9(12)5-3-8/h2-5H,6-7H2,1H3
InChIKey
OZELTQPRZKEBGN-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CC(=O)Cc1ccc(cc1)F
Isomeric Smiles
C(C(=O)OC)C(=O)Cc1ccc(F)cc1
Calculated Properties
JChem
Acid pKa
10.8216505
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.3547754
LogD (pH = 7.4)
2.354613
Log P
2.121444
Molar Refractivity
52.2463
Polarizability
20.09905
Polar Surface Area
43.37
Rotatable Bonds
5
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
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References
Bioactivity
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