Molecule

ID:25116

General Information
Structure
MolImage
Molecular Formula
C₈H₁₈N₂O
Molecular Mass
158.24132
Exact Mass
158.14191321
Charge
0
InChI
InChI=1S/C8H18N2O/c1-7-5-10(4-3-9)6-8(2)11-7/h7-8H,3-6,9H2,1-2H3
InChIKey
GLOJLKCUVTZRFO-UHFFFAOYSA-N
Canonic Smiles
NCCN1CC(C)OC(C1)C
Isomeric Smiles
N1(CC(OC(C1)C)C)CCN
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.4235647
LogD (pH = 7.4)
-1.9533708
Log P
0.007835255
Molar Refractivity
45.85
Polarizability
18.481222
Polar Surface Area
38.49
Rotatable Bonds
2
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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