Molecule

ID:61726

General Information
Structure
MolImage
Molecular Formula
C₆H₈O₃
Molecular Mass
128.12592
Exact Mass
128.04734412
Charge
0
InChI
InChI=1S/C6H8O3/c1-8-6(7)2-5-3-9-4-5/h2H,3-4H2,1H3
InChIKey
QUBZUQPHJXYCSI-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C=C1COC1
Isomeric Smiles
C(=O)(C=C1COC1)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.14233221
LogD (pH = 7.4)
0.14233221
Log P
0.14233221
Molar Refractivity
32.0553
Polarizability
12.323334
Polar Surface Area
35.53
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
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Molecule Details
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References
Bioactivity
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