Molecule

ID:103135

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀O₂
Molecular Mass
150.1745
Exact Mass
150.06807956
Charge
0
InChI
InChI=1S/C9H10O2/c1-7-3-5-9(6-4-7)11-8(2)10/h3-6H,1-2H3
InChIKey
CDJJKTLOZJAGIZ-UHFFFAOYSA-N
Canonic Smiles
CC(=O)Oc1ccc(cc1)C
Isomeric Smiles
CC(=O)Oc1ccc(C)cc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.093928
LogD (pH = 7.4)
2.093928
Log P
2.093928
Molar Refractivity
42.2316
Polarizability
16.515587
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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