COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: BBL027637
Chemical Name: 4-nitrobenzene-1,2-dicarboxylicacid
Smiles: OC(=O)c1cc(ccc1C(=O)O)[N+](=O)[O-]

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Molecular Weight: 211.13
Empirical Formula: C8H5NO6

Physical State: Dry powder
Available Amount: 5050 mg

Lipinsky:
logP: 1.003
Rotatable bonds: 4
H-donors: 2
H-acceptors: 6
PSA: 120
Number of rings: 1

     

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