Molecule

ID:19359

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₂N₂O
Molecular Mass
222.32658
Exact Mass
222.17321333
Charge
0
InChI
InChI=1S/C13H22N2O/c1-4-15(5-2)13(10-14)11-6-8-12(16-3)9-7-11/h6-9,13H,4-5,10,14H2,1-3H3
InChIKey
XSGLRLYBPQGKSM-UHFFFAOYSA-N
Canonic Smiles
NCC(c1ccc(cc1)OC)N(CC)CC
Isomeric Smiles
C(c1ccc(cc1)OC)(N(CC)CC)CN
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.6908503
LogD (pH = 7.4)
-0.38328993
Log P
1.7333705
Molar Refractivity
68.1811
Polarizability
26.971533
Polar Surface Area
38.49
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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