Molecule

ID:112907

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₂O₄
Molecular Mass
220.22128
Exact Mass
220.07355886
Charge
0
InChI
InChI=1S/C12H12O4/c1-7-9-6-8(14-2)4-5-10(9)16-11(7)12(13)15-3/h4-6H,1-3H3
InChIKey
PGZMJOOOCVNYTE-UHFFFAOYSA-N
Canonic Smiles
COc1ccc2c(c1)c(C)c(o2)C(=O)OC
Isomeric Smiles
c1(c(c2c(o1)ccc(c2)OC)C)C(=O)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.4115975
LogD (pH = 7.4)
2.4115975
Log P
2.4115975
Molar Refractivity
58.3063
Polarizability
23.418003
Polar Surface Area
48.67
Rotatable Bonds
3
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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