Molecule

ID:73655

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂O₃
Molecular Mass
192.21118
Exact Mass
192.07864424
Charge
0
InChI
InChI=1S/C11H12O3/c1-3-14-11(13)10(12)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3
InChIKey
ZGHJACPCSQNDGB-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(=O)c1ccc(cc1)C
Isomeric Smiles
O=C(c1ccc(cc1)C)C(=O)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.7399442
LogD (pH = 7.4)
2.7399442
Log P
2.7399442
Molar Refractivity
52.8146
Polarizability
20.273737
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
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Molecule Details
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References
Bioactivity
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