Molecule

ID:43606

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆O₃
Molecular Mass
184.23224
Exact Mass
184.10994437
Charge
0
InChI
InChI=1S/C10H16O3/c1-2-12-9(11)8-3-5-10(6-4-8)7-13-10/h8H,2-7H2,1H3
InChIKey
GQJWTOYPOHWVKC-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1CCC2(CC1)OC2
Isomeric Smiles
O1C2(C1)CCC(C(=O)OCC)CC2
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.4015102
LogD (pH = 7.4)
1.4015102
Log P
1.4015102
Molar Refractivity
47.7049
Polarizability
19.17389
Polar Surface Area
38.83
Rotatable Bonds
3
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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