Molecule

ID:104682

General Information
Structure
MolImage
Molecular Formula
C₉H₂₀O₄
Molecular Mass
192.2527
Exact Mass
192.13615912
Charge
0
InChI
InChI=1S/C9H20O4/c1-5-10-9(11-6-2,12-7-3)13-8-4/h5-8H2,1-4H3
InChIKey
CWLNAJYDRSIKJS-UHFFFAOYSA-N
Canonic Smiles
CCOC(OCC)(OCC)OCC
Isomeric Smiles
CCOC(OCC)(OCC)OCC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.741825
LogD (pH = 7.4)
2.741825
Log P
2.741825
Molar Refractivity
50.5614
Polarizability
20.111826
Polar Surface Area
36.92
Rotatable Bonds
8
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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