Molecule

ID:119185

General Information
Structure
MolImage
Molecular Formula
C₉H₁₆O₄
Molecular Mass
188.22094
Exact Mass
188.10485899
Charge
0
InChI
InChI=1S/C9H16O4/c1-7(9(10)11-2)5-8-6-12-3-4-13-8/h7-8H,3-6H2,1-2H3
InChIKey
INXLNBHGYINLOG-UHFFFAOYSA-N
Canonic Smiles
CC(C(=O)OC)CC1COCCO1
Isomeric Smiles
C(=O)(C(CC1OCCOC1)C)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.6583536
LogD (pH = 7.4)
0.6583536
Log P
0.6583536
Molar Refractivity
46.6398
Polarizability
18.791063
Polar Surface Area
44.76
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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