Molecule

ID:120907

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀N₄
Molecular Mass
210.2346
Exact Mass
210.09054634
Charge
0
InChI
InChI=1S/C12H10N4/c13-9-5-6-12(14-7-9)16-8-15-10-3-1-2-4-11(10)16/h1-8H,13H2
InChIKey
ZHJWNZRJIFJECV-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(nc1)n1cnc2c1cccc2
Isomeric Smiles
n1(cnc2c1cccc2)c1ncc(N)cc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.173954
LogD (pH = 7.4)
1.3552266
Log P
1.3581
Molar Refractivity
72.8191
Polarizability
24.513485
Polar Surface Area
56.73
Rotatable Bonds
1
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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