Molecule

ID:44783

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₂O₄
Molecular Mass
220.22128
Exact Mass
220.07355886
Charge
0
InChI
InChI=1S/C12H12O4/c1-15-10-6-3-9(4-7-10)5-8-11(13)12(14)16-2/h3-8H,1-2H3/b8-5+
InChIKey
PYDDGUYDXOJSJA-VMPITWQZSA-N
Canonic Smiles
COc1ccc(cc1)/C=C/C(=O)C(=O)OC
Isomeric Smiles
C(=O)(C(=O)/C=C/c1ccc(cc1)OC)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.646862
LogD (pH = 7.4)
2.646862
Log P
2.646862
Molar Refractivity
59.6382
Polarizability
22.734516
Polar Surface Area
52.6
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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