Molecule

ID:18836

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₈N₂O
Molecular Mass
194.27342
Exact Mass
194.14191321
Charge
0
InChI
InChI=1S/C11H18N2O/c1-13(9-3-8-12)10-4-6-11(14-2)7-5-10/h4-7H,3,8-9,12H2,1-2H3
InChIKey
SWAHHPHRIXRSOJ-UHFFFAOYSA-N
Canonic Smiles
NCCCN(c1ccc(cc1)OC)C
Isomeric Smiles
c1(N(CCCN)C)ccc(cc1)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.0552742
LogD (pH = 7.4)
-1.1419797
Log P
1.1865944
Molar Refractivity
59.765
Polarizability
22.885784
Polar Surface Area
38.49
Rotatable Bonds
5
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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