COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL326980
Chemical Name: (8Z)-8-({[(2,4-dinitrophenyl)carbonyl]oxy}imino)-6-methyl-4,4a,8,8a-tetrahydro-1,4-ethanonaphthalen-5(1H)-one
Smiles: O=C1C(=C/C(=N\OC(=O)c2ccc(cc2[N+](=O)[O-])[N+](=O)[O-])/C2C1C1CCC2C=C1)C

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Molecular Weight: 411.37
Empirical Formula: C20H17N3O7

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 3.336
Rotatable bonds: 3
H-donors: 0
H-acceptors: 7
PSA: 147
Number of rings: 5

     

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