Molecule

ID:13403

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₂N₂O₂
Molecular Mass
250.33668
Exact Mass
250.16812795
Charge
0
InChI
InChI=1S/C14H22N2O2/c1-17-14-5-3-2-4-13(14)12-15-6-7-16-8-10-18-11-9-16/h2-5,15H,6-12H2,1H3
InChIKey
WGVIWMAMZMWHQZ-UHFFFAOYSA-N
Canonic Smiles
COc1ccccc1CNCCN1CCOCC1
Isomeric Smiles
c1ccc(c(c1)CNCCN1CCOCC1)OC
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.823048
LogD (pH = 7.4)
-0.22013019
Log P
1.1740675
Molar Refractivity
72.8628
Polarizability
28.751974
Polar Surface Area
33.73
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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