Molecule

ID:79466

General Information
Structure
MolImage
Molecular Formula
C₇H₈O₂
Molecular Mass
124.13722
Exact Mass
124.0524295
Charge
0
InChI
InChI=1S/C7H8O2/c1-5-3-6(2)9-7(8)4-5/h3-4H,1-2H3
InChIKey
IXYLIUKQQQXXON-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(C)oc(=O)c1
Isomeric Smiles
o1c(=O)cc(cc1C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.1914564
LogD (pH = 7.4)
1.1914564
Log P
1.1914564
Molar Refractivity
36.1966
Polarizability
13.178455
Polar Surface Area
26.3
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
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Bioactivity
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