COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL431211
Chemical Name: (2E)-2-(1H-benzimidazol-2-yl)-3-(4-ethyl-3-nitrophenyl)prop-2-enenitrile
Smiles: N#C/C(=C\c1ccc(c(c1)[N+](=O)[O-])CC)/c1nc2c([nH]1)cccc2

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Molecular Weight: 318.33
Empirical Formula: C18H14N4O2

Physical State: Dry powder
Available Amount: 165 mg

Lipinsky:
logP: 4.85
Rotatable bonds: 2
H-donors: 1
H-acceptors: 2
PSA: 98
Number of rings: 3

     

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