COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK633078
Chemical Name: 2-[(2E)-{phenyl[(E)-(2,4,6-trinitrophenyl)diazenyl]methylidene}hydrazinylidene]-2,3-dihydro-1H-benzimidazole
Smiles: [O-][N+](=O)c1cc(cc(c1/N=N/C(=N/N=c/1\[nH]c2c([nH]1)cccc2)/c1ccccc1)[N+](=O)[O-])[N+](=O)[O-]

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Saltdata: 4 H2O
Molecular Weight: 475.38
Empirical Formula: C20H13N9O6

Available Amount: 0 mg

Lipinsky:
logP: 7.485
Rotatable bonds: 0
H-donors: 2
H-acceptors: 6
PSA: 210
Number of rings: 4

     

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