COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL148983
Chemical Name: 3-[(Z)-2-hydroxy-2-(4-nitrophenyl)ethenyl]-7-nitro-2H-1,4-benzoxazin-2-one
Smiles: O/C(=C\c1nc2ccc(cc2oc1=O)[N+](=O)[O-])/c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 355.26
Empirical Formula: C16H9N3O7

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.421
Rotatable bonds: 2
H-donors: 1
H-acceptors: 7
PSA: 150
Number of rings: 3

     

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