Molecule

ID:114591

General Information
Structure
Molecular Formula
C₁₂H₂₀N₄
Molecular Mass
220.314
Exact Mass
220.16879666
Charge
0
InChI
InChI=1S/C12H20N4/c1-9-4-6-16(7-5-9)12-14-10(2)8-11(13-3)15-12/h8-9H,4-7H2,1-3H3,(H,13,14,15)
InChIKey
BYSZSGVCMHMMOQ-UHFFFAOYSA-N
Canonic Smiles
CNc1cc(C)nc(n1)N1CCC(CC1)C
Isomeric Smiles
c1(nc(cc(n1)C)NC)N1CCC(CC1)C
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.3899812
LogD (pH = 7.4)
1.6422513
Log P
2.1725564
Molar Refractivity
68.8863
Polarizability
24.736736
Polar Surface Area
41.05
Rotatable Bonds
2
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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