Molecule

ID:18673

General Information
Structure
MolImage
Molecular Formula
C₈H₁₈N₂O
Molecular Mass
158.24132
Exact Mass
158.14191321
Charge
0
InChI
InChI=1S/C8H18N2O/c1-2-8(9)7-10-3-5-11-6-4-10/h8H,2-7,9H2,1H3
InChIKey
HJMLSYDTXOCXOO-UHFFFAOYSA-N
Canonic Smiles
CCC(CN1CCOCC1)N
Isomeric Smiles
N1(CC(N)CC)CCOCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.258878
LogD (pH = 7.4)
-2.073925
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
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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