Molecule

ID:74770

General Information
Structure
MolImage
Molecular Formula
C₉H₁₆O₃
Molecular Mass
172.22154
Exact Mass
172.10994437
Charge
0
InChI
InChI=1S/C9H16O3/c1-2-12-9(10)7-8-3-5-11-6-4-8/h8H,2-7H2,1H3
InChIKey
JLMMMEDWRUVCEW-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CC1CCOCC1
Isomeric Smiles
O1CCC(CC(=O)OCC)CC1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.8889636
LogD (pH = 7.4)
0.8889636
Log P
0.8889636
Molar Refractivity
45.4872
Polarizability
18.057873
Polar Surface Area
35.53
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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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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