Molecule

ID:53195

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆O₄
Molecular Mass
200.23164
Exact Mass
200.10485899
Charge
0
InChI
InChI=1S/C10H16O4/c1-8(11)13-7-5-6-9(12)14-10(2,3)4/h5-6H,7H2,1-4H3/b6-5+
InChIKey
LNLNELDBRUUZHS-AATRIKPKSA-N
Canonic Smiles
CC(=O)OC/C=C/C(=O)OC(C)(C)C
Isomeric Smiles
C(/C=C/C(=O)OC(C)(C)C)OC(=O)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.5131236
LogD (pH = 7.4)
1.5131236
Log P
1.5131236
Molar Refractivity
52.4658
Polarizability
20.474598
Polar Surface Area
52.6
Rotatable Bonds
6
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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