Molecule

ID:75106

General Information
Structure
MolImage
Molecular Formula
C₉H₁₈O₅
Molecular Mass
206.23622
Exact Mass
206.11542368
Charge
0
InChI
InChI=1S/C9H18O5/c10-7-9-8-13-4-3-11-1-2-12-5-6-14-9/h9-10H,1-8H2
InChIKey
NJIPEIQHUNDGPY-UHFFFAOYSA-N
Canonic Smiles
OCC1OCCOCCOCCOC1
Isomeric Smiles
O1C(CO)COCCOCCOCC1
Calculated Properties
JChem
Acid pKa
14.602924
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-0.81823695
LogD (pH = 7.4)
-0.818237
Log P
-0.81823695
Molar Refractivity
50.1365
Polarizability
20.073902
Polar Surface Area
57.15
Rotatable Bonds
1
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
References
Bioactivity
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