Molecule

ID:89639

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₀N₄
Molecular Mass
220.314
Exact Mass
220.16879666
Charge
0
InChI
InChI=1S/C12H20N4/c1-10-7-14-9-12(15-10)16-5-3-11(4-6-16)8-13-2/h7,9,11,13H,3-6,8H2,1-2H3
InChIKey
JFQVAQFGAKHEBB-UHFFFAOYSA-N
Canonic Smiles
CNCC1CCN(CC1)c1cncc(n1)C
Isomeric Smiles
n1cc(nc(c1)N1CCC(CC1)CNC)C
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-2.761377
LogD (pH = 7.4)
-2.4756994
Log P
0.47613147
Molar Refractivity
66.0522
Polarizability
25.127989
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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