Molecule

ID:68024

General Information
Structure
MolImage
Molecular Formula
C₉H₈O₂
Molecular Mass
148.15862
Exact Mass
148.0524295
Charge
0
InChI
InChI=1S/C9H8O2/c10-7-2-3-8-6(5-7)1-4-9(8)11/h2-3,5,10H,1,4H2
InChIKey
ZRKQOVXGDIZYDS-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc2c(c1)CCC2=O
Isomeric Smiles
C1(=O)CCc2cc(ccc12)O
Calculated Properties
JChem
Acid pKa
7.7181334
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.530388
LogD (pH = 7.4)
1.3639197
Log P
1.5329907
Molar Refractivity
41.7066
Polarizability
15.775338
Polar Surface Area
37.3
Rotatable Bonds
0
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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