Molecule

ID:69952

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀O₃
Molecular Mass
166.1739
Exact Mass
166.06299418
Charge
0
InChI
InChI=1S/C9H10O3/c1-11-8-3-7(6-10)4-9(5-8)12-2/h3-6H,1-2H3
InChIKey
VFZRZRDOXPRTSC-UHFFFAOYSA-N
Canonic Smiles
COc1cc(OC)cc(c1)C=O
Isomeric Smiles
C(=O)c1cc(cc(c1)OC)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.3704057
LogD (pH = 7.4)
1.3704057
Log P
1.3704057
Molar Refractivity
45.5684
Polarizability
17.266483
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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