Molecule

ID:50473

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₂N₂O
Molecular Mass
198.30518
Exact Mass
198.17321333
Charge
0
InChI
InChI=1S/C11H22N2O/c1-2-11(10-12-4-1)3-5-13-6-8-14-9-7-13/h11-12H,1-10H2
InChIKey
BYSFAURTJRJEHE-UHFFFAOYSA-N
Canonic Smiles
C1CCC(CN1)CCN1CCOCC1
Isomeric Smiles
N1(CCC2CNCCC2)CCOCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-5.0226207
LogD (pH = 7.4)
-2.909471
Log P
0.5205966
Molar Refractivity
58.638
Polarizability
23.27968
Polar Surface Area
24.5
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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