Molecule

ID:71413

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆O₃
Molecular Mass
184.23224
Exact Mass
184.10994437
Charge
0
InChI
InChI=1S/C10H16O3/c1-3-13-9(12)10(8(2)11)6-4-5-7-10/h3-7H2,1-2H3
InChIKey
POZMOHUCPZIZCS-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1(CCCC1)C(=O)C
Isomeric Smiles
CC(=O)C1(C(=O)OCC)CCCC1
Calculated Properties
JChem
Acid pKa
18.357082
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.0256224
LogD (pH = 7.4)
2.0256224
Log P
2.0256224
Molar Refractivity
48.5319
Polarizability
19.279125
Polar Surface Area
43.37
Rotatable Bonds
4
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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