Molecule

ID:79458

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀O₂
Molecular Mass
150.1745
Exact Mass
150.06807956
Charge
0
InChI
InChI=1S/C9H10O2/c1-2-7-3-5-8(6-4-7)9(10)11/h3-6H,2H2,1H3,(H,10,11)
InChIKey
ZQVKTHRQIXSMGY-UHFFFAOYSA-N
Canonic Smiles
CCc1ccc(cc1)C(=O)O
Isomeric Smiles
O=C(c1ccc(cc1)CC)O
Calculated Properties
JChem
Acid pKa
4.2494245
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.3167928
LogD (pH = 7.4)
-0.41040748
Log P
2.5888188
Molar Refractivity
42.9564
Polarizability
16.254683
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
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation