Molecule

ID:61997

General Information
Structure
Molecular Formula
C₁₁H₁₂O₄
Molecular Mass
208.21058
Exact Mass
208.07355886
Charge
0
InChI
InChI=1S/C11H12O4/c1-14-11(13)7-9(12)8-15-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3
InChIKey
QZNXCJAYODJYMQ-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CC(=O)COc1ccccc1
Isomeric Smiles
C(C(=O)OC)C(=O)COc1ccccc1
Calculated Properties
JChem
Acid pKa
10.123386
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.8946289
LogD (pH = 7.4)
1.8938195
Log P
1.6613059
Molar Refractivity
53.2701
Polarizability
21.078888
Polar Surface Area
52.6
Rotatable Bonds
6
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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