Molecule

ID:79276

General Information
Structure
MolImage
Molecular Formula
C₇H₈O₂
Molecular Mass
124.13722
Exact Mass
124.0524295
Charge
0
InChI
InChI=1S/C7H8O2/c1-5-3-7(4-8)9-6(5)2/h3-4H,1-2H3
InChIKey
JPTPEPVCVXGNJM-UHFFFAOYSA-N
Canonic Smiles
O=Cc1oc(c(c1)C)C
Isomeric Smiles
o1c(c(cc1C=O)C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.4589775
LogD (pH = 7.4)
1.4589775
Log P
1.4589775
Molar Refractivity
35.2238
Polarizability
12.637892
Polar Surface Area
30.21
Rotatable Bonds
1
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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