Molecule

ID:89405

General Information
Structure
Molecular Formula
C₉H₁₀O₂
Molecular Mass
150.1745
Exact Mass
150.06807956
Charge
0
InChI
InChI=1S/C9H10O2/c1-7(10)8-4-3-5-9(6-8)11-2/h3-6H,1-2H3
InChIKey
BAYUSCHCCGXLAY-UHFFFAOYSA-N
Canonic Smiles
COc1cccc(c1)C(=O)C
Isomeric Smiles
O=C(c1cc(ccc1)OC)C
Calculated Properties
JChem
Acid pKa
15.954935
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.3732221
LogD (pH = 7.4)
1.3732221
Log P
1.3732221
Molar Refractivity
42.924
Polarizability
16.577415
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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