Molecule

ID:88293

General Information
Structure
Molecular Formula
C₇H₈O₃
Molecular Mass
140.13662
Exact Mass
140.04734412
Charge
0
InChI
InChI=1S/C7H8O3/c1-2-3-5-4-6(8)10-7(5)9/h2,5H,1,3-4H2
InChIKey
WUMMIJWEUDHZCL-UHFFFAOYSA-N
Canonic Smiles
C=CCC1CC(=O)OC1=O
Isomeric Smiles
O1C(=O)C(CC1=O)CC=C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.86382467
LogD (pH = 7.4)
0.86382467
Log P
0.86382467
Molar Refractivity
34.1522
Polarizability
13.5419235
Polar Surface Area
43.37
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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