Molecule

ID:101408

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₀N₄
Molecular Mass
220.314
Exact Mass
220.16879666
Charge
0
InChI
InChI=1S/C12H20N4/c1-10-6-14-8-12(15-10)16-5-3-4-11(9-16)7-13-2/h6,8,11,13H,3-5,7,9H2,1-2H3
InChIKey
CBRQUNBWUQBINE-UHFFFAOYSA-N
Canonic Smiles
CNCC1CCCN(C1)c1cncc(n1)C
Isomeric Smiles
N1(c2nc(cnc2)C)CC(CNC)CCC1
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-2.714427
LogD (pH = 7.4)
-2.2541187
Log P
0.5176882
Molar Refractivity
65.9534
Polarizability
25.12798
Polar Surface Area
41.05
Rotatable Bonds
3
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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