Molecule

ID:89620

General Information
Structure
Molecular Formula
C₉H₁₀O₂
Molecular Mass
150.1745
Exact Mass
150.06807956
Charge
0
InChI
InChI=1S/C9H10O2/c1-7-3-5-8(6-4-7)9(10)11-2/h3-6H,1-2H3
InChIKey
QSSJZLPUHJDYKF-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc(cc1)C
Isomeric Smiles
O=C(c1ccc(cc1)C)OC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.4901443
LogD (pH = 7.4)
2.4901443
Log P
2.4901443
Molar Refractivity
43.1245
Polarizability
16.508698
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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