COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: BBL000013
Chemical Name: methyl3,5- dinitrobenzoate
Smiles: COC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]

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Molecular Weight: 226.15
Empirical Formula: C8H6N2O6

Physical State: Dry powder
Available Amount: 26614 mg

Lipinsky:
logP: 1.379
Rotatable bonds: 1
H-donors: 0
H-acceptors: 6
PSA: 117
Number of rings: 1

     

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