Molecule

ID:56227

General Information
Structure
MolImage
Molecular Formula
C₈H₁₈N₂O
Molecular Mass
158.24132
Exact Mass
158.14191321
Charge
0
InChI
InChI=1S/C8H18N2O/c1-2-8(7-9)10-3-5-11-6-4-10/h8H,2-7,9H2,1H3
InChIKey
ISPOVRDUODCJCL-UHFFFAOYSA-N
Canonic Smiles
CCC(N1CCOCC1)CN
Isomeric Smiles
N1(C(CN)CC)CCOCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.36733
LogD (pH = 7.4)
-1.8687992
Log P
0.11378262
Molar Refractivity
45.9552
Polarizability
18.481222
Polar Surface Area
38.49
Rotatable Bonds
3
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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