Molecule

ID:40391

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₄N₄
Molecular Mass
214.26636
Exact Mass
214.12184647
Charge
0
InChI
InChI=1S/C12H14N4/c1-16(2)11-10(8-14-12(13)15-11)9-6-4-3-5-7-9/h3-8H,1-2H3,(H2,13,14,15)
InChIKey
OEFGVUAVFLCYRE-UHFFFAOYSA-N
Canonic Smiles
Nc1ncc(c(n1)N(C)C)c1ccccc1
Isomeric Smiles
c1(nc(ncc1c1ccccc1)N)N(C)C
Calculated Properties
JChem
Acid pKa
17.041643
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.0560685
LogD (pH = 7.4)
2.1128683
Log P
2.2493222
Molar Refractivity
67.247
Polarizability
25.474525
Polar Surface Area
55.04
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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