Molecule

ID:8028

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀O₂
Molecular Mass
150.1745
Exact Mass
150.06807956
Charge
0
InChI
InChI=1S/C9H10O2/c1-7-2-4-8(5-3-7)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)
InChIKey
GXXXUZIRGXYDFP-UHFFFAOYSA-N
Canonic Smiles
OC(=O)Cc1ccc(cc1)C
Isomeric Smiles
c1c(ccc(c1)CC(=O)O)C
Calculated Properties
JChem
Acid pKa
4.689805
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.2525371
LogD (pH = 7.4)
-0.5253199
Log P
2.1244154
Molar Refractivity
42.4068
Polarizability
16.281319
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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