Molecule

ID:77943

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂N₄
Molecular Mass
200.23978
Exact Mass
200.1061964
Charge
0
InChI
InChI=1S/C11H12N4/c12-6-9-7-13-11(14-8-9)15-10-4-2-1-3-5-10/h1-5,7-8H,6,12H2,(H,13,14,15)
InChIKey
IGMKIKUXMJLMOP-UHFFFAOYSA-N
Canonic Smiles
NCc1cnc(nc1)Nc1ccccc1
Isomeric Smiles
N(c1ncc(cn1)CN)c1ccccc1
Calculated Properties
JChem
Acid pKa
13.363105
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-1.5987736
LogD (pH = 7.4)
-0.2555633
Log P
1.2942157
Molar Refractivity
59.6279
Polarizability
22.638044
Polar Surface Area
63.83
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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