Molecule

ID:24488

General Information
Structure
MolImage
Molecular Formula
C₈H₁₈N₂O
Molecular Mass
158.24132
Exact Mass
158.14191321
Charge
0
InChI
InChI=1S/C8H18N2O/c1-9-3-2-4-10-5-7-11-8-6-10/h9H,2-8H2,1H3
InChIKey
UKYSWWLKULEJFA-UHFFFAOYSA-N
Canonic Smiles
CNCCCN1CCOCC1
Isomeric Smiles
N1(CCCNC)CCOCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-4.3337665
LogD (pH = 7.4)
-3.2060883
Log P
-0.33277467
Molar Refractivity
46.6524
Polarizability
18.481222
Polar Surface Area
24.5
Rotatable Bonds
4
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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