COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: BBL008969
Chemical Name: 4-methyl-3,5-dinitrobenzoicacid
Smiles: [O-][N+](=O)c1cc(cc(c1C)[N+](=O)[O-])C(=O)O

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Molecular Weight: 226.15
Empirical Formula: C8H6N2O6

Physical State: Dry powder
Available Amount: 5855 mg

Lipinsky:
logP: 2.149
Rotatable bonds: 1
H-donors: 1
H-acceptors: 6
PSA: 128
Number of rings: 1

     

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