Molecule

ID:68819

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀O₂
Molecular Mass
150.1745
Exact Mass
150.06807956
Charge
0
InChI
InChI=1S/C9H10O2/c1-7-5-9(11-2)4-3-8(7)6-10/h3-6H,1-2H3
InChIKey
WICYVKGMEJSDAO-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(c(c1)C)C=O
Isomeric Smiles
C(=O)c1c(cc(cc1)OC)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.0414982
LogD (pH = 7.4)
2.0414982
Log P
2.0414982
Molar Refractivity
44.1464
Polarizability
16.50136
Polar Surface Area
26.3
Rotatable Bonds
2
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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