Molecule

ID:69548

General Information
Structure
MolImage
Molecular Formula
C₇H₁₀O₄
Molecular Mass
158.1519
Exact Mass
158.0579088
Charge
0
InChI
InChI=1S/C7H10O4/c1-5(7(9)11-3)4-6(8)10-2/h1,4H2,2-3H3
InChIKey
ZWWQRMFIZFPUAA-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CC(=C)C(=O)OC
Isomeric Smiles
C(=O)(C(=C)CC(=O)OC)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.5779461
LogD (pH = 7.4)
0.5779461
Log P
0.5779461
Molar Refractivity
37.4531
Polarizability
14.996215
Polar Surface Area
52.6
Rotatable Bonds
5
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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