Molecule

ID:69462

General Information
Structure
Molecular Formula
C₉H₁₀O₂
Molecular Mass
150.1745
Exact Mass
150.06807956
Charge
0
InChI
InChI=1S/C9H10O2/c1-2-9(11)7-3-5-8(10)6-4-7/h3-6,10H,2H2,1H3
InChIKey
RARSHUDCJQSEFJ-UHFFFAOYSA-N
Canonic Smiles
CCC(=O)c1ccc(cc1)O
Isomeric Smiles
C(=O)(CC)c1ccc(cc1)O
Calculated Properties
JChem
Acid pKa
7.778297
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.9255968
LogD (pH = 7.4)
1.7772342
Log P
1.9278638
Molar Refractivity
43.0686
Polarizability
16.50473
Polar Surface Area
37.3
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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