Molecule

ID:41397

General Information
Structure
Molecular Formula
C₁₁H₁₀O₄
Molecular Mass
206.1947
Exact Mass
206.0579088
Charge
0
InChI
InChI=1S/C11H10O4/c1-15-11(14)10(13)7-9(12)8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChIKey
AQYAHPDSJAFBOS-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C(=O)CC(=O)c1ccccc1
Isomeric Smiles
C(=O)(CC(=O)c1ccccc1)C(=O)OC
Calculated Properties
JChem
Acid pKa
9.219491
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.091486
LogD (pH = 7.4)
2.0850415
Log P
2.091569
Molar Refractivity
52.92
Polarizability
20.462788
Polar Surface Area
60.44
Rotatable Bonds
5
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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