Molecule

ID:78519

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂O₃
Molecular Mass
192.21118
Exact Mass
192.07864424
Charge
0
InChI
InChI=1S/C11H12O3/c1-14-11(13)10(12)8-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
InChIKey
DMZGURNRYOUAGC-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C(=O)CCc1ccccc1
Isomeric Smiles
O=C(CCc1ccccc1)C(=O)OC
Calculated Properties
JChem
Acid pKa
17.615944
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.7240098
LogD (pH = 7.4)
2.7240098
Log P
2.7240098
Molar Refractivity
52.0817
Polarizability
20.375963
Polar Surface Area
43.37
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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