Molecule

ID:34138

General Information
Structure
MolImage
Molecular Formula
C₈H₁₈N₂O
Molecular Mass
158.24132
Exact Mass
158.14191321
Charge
0
InChI
InChI=1S/C8H18N2O/c1-8(2,7-9)10-3-5-11-6-4-10/h3-7,9H2,1-2H3
InChIKey
GFIBMQGRHYGHAP-UHFFFAOYSA-N
Canonic Smiles
NCC(N1CCOCC1)(C)C
Isomeric Smiles
C1OCCN(C1)C(CN)(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.6703525
LogD (pH = 7.4)
-2.161439
Log P
-0.1281631
Molar Refractivity
46.0694
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
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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