Molecule

ID:13353

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₂N₂O₂
Molecular Mass
238.32598
Exact Mass
238.16812795
Charge
0
InChI
InChI=1S/C13H22N2O2/c1-12-3-4-13(17-12)11-14-5-2-6-15-7-9-16-10-8-15/h3-4,14H,2,5-11H2,1H3
InChIKey
LIGNTDBLRSBSHP-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(o1)CNCCCN1CCOCC1
Isomeric Smiles
N1(CCCNCc2ccc(o2)C)CCOCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.8942893
LogD (pH = 7.4)
-0.6720011
Log P
0.6515064
Molar Refractivity
68.8056
Polarizability
26.7021
Polar Surface Area
37.64
Rotatable Bonds
6
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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