Molecule

ID:45951

General Information
Structure
Molecular Formula
C₁₃H₂₀N₂O
Molecular Mass
220.3107
Exact Mass
220.15756327
Charge
0
InChI
InChI=1S/C13H20N2O/c1-3-15(4-2)11-6-5-7-12(8-11)16-13-9-14-10-13/h5-8,13-14H,3-4,9-10H2,1-2H3
InChIKey
JXKPZCQIOBNCKP-UHFFFAOYSA-N
Canonic Smiles
CCN(c1cccc(c1)OC1CNC1)CC
Isomeric Smiles
c1c(N(CC)CC)cccc1OC1CNC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.75606716
LogD (pH = 7.4)
0.9520152
Log P
2.161073
Molar Refractivity
66.8726
Polarizability
25.841084
Polar Surface Area
24.5
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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