COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL040822
Chemical Name: 4-bromo-2-[(E)-{2-[(4-nitro-1H-pyrazol-2-ium-1-yl)acetyl]hydrazinylidene}methyl]phenolate
Smiles: O=C(Cn1[nH+]cc(c1)[N+](=O)[O-])N/N=C/c1cc(Br)ccc1[O-]

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Molecular Weight: 368.15
Empirical Formula: C12H10BrN5O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.627
Rotatable bonds: 4
H-donors: 2
H-acceptors: 4
PSA: 129
Number of rings: 2

     

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