Molecule

ID:30323

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₁N₃O₂
Molecular Mass
263.33544
Exact Mass
263.16337693
Charge
0
InChI
InChI=1S/C14H21N3O2/c15-13-2-1-12(16-3-7-18-8-4-16)11-14(13)17-5-9-19-10-6-17/h1-2,11H,3-10,15H2
InChIKey
VEMKXLKXBFHADY-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1N1CCOCC1)N1CCOCC1
Isomeric Smiles
c1(cc(N2CCOCC2)ccc1N)N1CCOCC1
Calculated Properties
JChem
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
0.66079783
LogD (pH = 7.4)
0.91886765
Log P
0.92340666
Molar Refractivity
77.7646
Polarizability
28.411562
Polar Surface Area
50.96
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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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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