Molecule

ID:77845

General Information
Structure
Molecular Formula
C₉H₁₀O₂
Molecular Mass
150.1745
Exact Mass
150.06807956
Charge
0
InChI
InChI=1S/C9H10O2/c1-2-7-5-3-4-6-8(7)9(10)11/h3-6H,2H2,1H3,(H,10,11)
InChIKey
CGMMPMYKMDITEA-UHFFFAOYSA-N
Canonic Smiles
CCc1ccccc1C(=O)O
Isomeric Smiles
OC(=O)c1ccccc1CC
Calculated Properties
JChem
Acid pKa
3.9218917
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.0042171
LogD (pH = 7.4)
-0.6133248
Log P
2.5888188
Molar Refractivity
42.9564
Polarizability
16.255754
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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