Molecule

ID:74117

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₄O₃
Molecular Mass
206.23776
Exact Mass
206.09429431
Charge
0
InChI
InChI=1S/C12H14O3/c1-7-4-8(13)5-10-11(7)9(14)6-12(2,3)15-10/h4-5,13H,6H2,1-3H3
InChIKey
RDRXIUHZBNIYAV-UHFFFAOYSA-N
Canonic Smiles
Oc1cc2OC(C)(C)CC(=O)c2c(c1)C
Isomeric Smiles
O1C(CC(=O)c2c1cc(cc2C)O)(C)C
Calculated Properties
JChem
Acid pKa
7.922727
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.216945
LogD (pH = 7.4)
2.1054773
Log P
2.2185717
Molar Refractivity
57.1434
Polarizability
21.910206
Polar Surface Area
46.53
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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