Molecule

ID:54088

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆O₄
Molecular Mass
200.23164
Exact Mass
200.10485899
Charge
0
InChI
InChI=1S/C10H16O4/c1-5-14-9(13)7(11)6-8(12)10(2,3)4/h5-6H2,1-4H3
InChIKey
NIMKIMUBJFWPTD-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(=O)CC(=O)C(C)(C)C
Isomeric Smiles
C(=O)(CC(=O)C(C)(C)C)C(=O)OCC
Calculated Properties
JChem
Acid pKa
8.51332
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.822879
LogD (pH = 7.4)
2.7910924
Log P
2.8232996
Molar Refractivity
51.105
Polarizability
20.113941
Polar Surface Area
60.44
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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