Molecule

ID:121857

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀O₃
Molecular Mass
166.1739
Exact Mass
166.06299418
Charge
0
InChI
InChI=1S/C9H10O3/c1-11-8-5-3-4-7(6-8)9(10)12-2/h3-6H,1-2H3
InChIKey
DUKYPQBGYRJVAN-UHFFFAOYSA-N
Canonic Smiles
COc1cccc(c1)C(=O)OC
Isomeric Smiles
C(=O)(c1cc(OC)ccc1)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.8190515
LogD (pH = 7.4)
1.8190515
Log P
1.8190515
Molar Refractivity
44.5465
Polarizability
17.273548
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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