Molecule

ID:13367

General Information
Structure
Molecular Formula
C₁₄H₂₂N₂O
Molecular Mass
234.33728
Exact Mass
234.17321333
Charge
0
InChI
InChI=1S/C14H22N2O/c1-16-9-7-13(8-10-16)15-11-12-3-5-14(17-2)6-4-12/h3-6,13,15H,7-11H2,1-2H3
InChIKey
NDKSBLMWVDRHHO-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)CNC1CCN(CC1)C
Isomeric Smiles
c1c(ccc(c1)CNC1CCN(CC1)C)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.7598453
LogD (pH = 7.4)
-1.4290676
Log P
1.4007295
Molar Refractivity
71.2203
Polarizability
28.079899
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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