Molecule

ID:89677

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₄O₄
Molecular Mass
222.23716
Exact Mass
222.08920893
Charge
0
InChI
InChI=1S/C12H14O4/c1-8(2)12(14)16-10-5-4-9(7-13)6-11(10)15-3/h4-8H,1-3H3
InChIKey
BGKAKRUFBSTALK-UHFFFAOYSA-N
Canonic Smiles
COc1cc(C=O)ccc1OC(=O)C(C)C
Isomeric Smiles
O=Cc1cc(c(cc1)OC(=O)C(C)C)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.37886
LogD (pH = 7.4)
2.37886
Log P
2.37886
Molar Refractivity
59.439
Polarizability
22.871853
Polar Surface Area
52.6
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
References
Bioactivity
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