Molecule

ID:115954

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₆N₄
Molecular Mass
216.28224
Exact Mass
216.13749653
Charge
0
InChI
InChI=1S/C12H16N4/c1-15-11-5-3-2-4-10(11)14-12(15)16-8-6-13-7-9-16/h2-5,13H,6-9H2,1H3
InChIKey
XBTIVKKHGCXLGP-UHFFFAOYSA-N
Canonic Smiles
Cn1c(nc2c1cccc2)N1CCNCC1
Isomeric Smiles
c1(nc2c(n1C)cccc2)N1CCNCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.6509198
LogD (pH = 7.4)
0.282959
Log P
1.7395456
Molar Refractivity
64.5225
Polarizability
25.729277
Polar Surface Area
33.09
Rotatable Bonds
1
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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