Molecule

ID:33386

General Information
Structure
MolImage
Molecular Formula
C₈H₁₈N₂O
Molecular Mass
158.24132
Exact Mass
158.14191321
Charge
0
InChI
InChI=1S/C8H18N2O/c1-8(2-3-9)10-4-6-11-7-5-10/h8H,2-7,9H2,1H3
InChIKey
PJRDKXUODLOYBV-UHFFFAOYSA-N
Canonic Smiles
NCCC(N1CCOCC1)C
Isomeric Smiles
N1(C(CCN)C)CCOCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-4.9546704
LogD (pH = 7.4)
-3.0955245
Log P
-0.34878004
Molar Refractivity
46.2966
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
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Molecule Details
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References
Bioactivity
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