COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK681783
Chemical Name: 2-(4-methyl-2-nitrophenyl)cyclohexa-2,5-diene-1,4-dione
Smiles: O=C1C=CC(=O)C(=C1)c1ccc(cc1[N+](=O)[O-])C

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Molecular Weight: 243.22
Empirical Formula: C13H9NO4

Physical State: Dry powder
Available Amount: 4 mg

Lipinsky:
logP: 2.476
Rotatable bonds: 1
H-donors: 0
H-acceptors: 4
PSA: 79
Number of rings: 2

     

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