COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK727673
Chemical Name: 3-{2-[(E)-2-nitroethenyl]-1H-pyrrol-1-yl}benzoicacid
Smiles: [O-][N+](=O)/C=C/c1cccn1c1cccc(c1)C(=O)O

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Molecular Weight: 258.23
Empirical Formula: C13H10N2O4

Physical State: Dry powder
Available Amount: 169 mg

Lipinsky:
logP: 2.683
Rotatable bonds: 3
H-donors: 1
H-acceptors: 4
PSA: 88
Number of rings: 2

     

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