Molecule

ID:119172

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)8-10(13-8)6-4-3-5-7-10/h8H,2-7H2,1H3
InChIKey
MARQMDSVINDKRX-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1OC21CCCCC2
Isomeric Smiles
C1(OC21CCCCC2)C(=O)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.8687054
LogD (pH = 7.4)
1.8687054
Log P
1.8687054
Molar Refractivity
47.2949
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
No Data Available
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Molecule Details
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References
Bioactivity
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