Molecule

ID:52449

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀O₃
Molecular Mass
166.1739
Exact Mass
166.06299418
Charge
0
InChI
InChI=1S/C9H10O3/c1-7(10)12-9-6-4-3-5-8(9)11-2/h3-6H,1-2H3
InChIKey
BHJHPYFAYGAPLS-UHFFFAOYSA-N
Canonic Smiles
COc1ccccc1OC(=O)C
Isomeric Smiles
COc1c(cccc1)OC(=O)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.4228355
LogD (pH = 7.4)
1.4228355
Log P
1.4228355
Molar Refractivity
43.6536
Polarizability
17.282444
Polar Surface Area
35.53
Rotatable Bonds
3
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
References
Bioactivity
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