Molecule

ID:53909

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₄O₃
Molecular Mass
206.23776
Exact Mass
206.09429431
Charge
0
InChI
InChI=1S/C12H14O3/c1-12(2,3)15-11(14)10-7-5-4-6-9(10)8-13/h4-8H,1-3H3
InChIKey
AMGDHQPXAGWBSF-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccccc1C(=O)OC(C)(C)C
Isomeric Smiles
c1(c(cccc1)C=O)C(=O)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.7431848
LogD (pH = 7.4)
2.7431848
Log P
2.7431848
Molar Refractivity
58.4729
Polarizability
22.168766
Polar Surface Area
43.37
Rotatable Bonds
4
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
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References
Bioactivity
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