Molecule

ID:89869

General Information
Structure
Molecular Formula
C₉H₁₄O₄
Molecular Mass
186.20506
Exact Mass
186.08920893
Charge
0
InChI
InChI=1S/C9H14O4/c1-3-12-8(10)6-5-7(6)9(11)13-4-2/h6-7H,3-5H2,1-2H3
InChIKey
SXLDHZFJMXLFJU-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1CC1C(=O)OCC
Isomeric Smiles
O(C(=O)C1C(C1)C(=O)OCC)CC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.78459907
LogD (pH = 7.4)
0.78459907
Log P
0.78459907
Molar Refractivity
45.3182
Polarizability
18.185108
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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