Molecule

ID:26842

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₀N₂O
Molecular Mass
220.3107
Exact Mass
220.15756327
Charge
0
InChI
InChI=1S/C13H20N2O/c1-2-16-13-6-4-3-5-12(13)11-15-9-7-14-8-10-15/h3-6,14H,2,7-11H2,1H3
InChIKey
BQEOHXXGJIUXQE-UHFFFAOYSA-N
Canonic Smiles
CCOc1ccccc1CN1CCNCC1
Isomeric Smiles
c1(CN2CCNCC2)c(OCC)cccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.5683386
LogD (pH = 7.4)
-0.24533238
Log P
1.5778509
Molar Refractivity
66.5679
Polarizability
26.234163
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
No Data Available
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Molecule Details
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References
Bioactivity
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