COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: BBL011002
Chemical Name: 2-(4-nitrophenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylicacid
Smiles: OC(=O)C1C2C=CC3(C1C(=O)N(C3)c1ccc(cc1)[N+](=O)[O-])O2

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Molecular Weight: 316.27
Empirical Formula: C15H12N2O6

Physical State: Dry powder
Available Amount: 1010 mg

Lipinsky:
logP: 1.346
Rotatable bonds: 2
H-donors: 1
H-acceptors: 6
PSA: 112
Number of rings: 4

     

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