Molecule

ID:15406

General Information
Structure
MolImage
Molecular Formula
C₈H₁₉NO₂
Molecular Mass
161.24196
Exact Mass
161.14157885
Charge
0
InChI
InChI=1S/C8H19NO2/c1-8(7-9-2)11-6-4-5-10-3/h8-9H,4-7H2,1-3H3
InChIKey
SMDYZCOYLAQLDD-UHFFFAOYSA-N
Canonic Smiles
CNCC(OCCCOC)C
Isomeric Smiles
N(CC(OCCCOC)C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.017497
LogD (pH = 7.4)
-2.1711652
Log P
0.18970528
Molar Refractivity
46.0646
Polarizability
18.374706
Polar Surface Area
30.49
Rotatable Bonds
7
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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