COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL295518
Chemical Name: 2-(2-hydroxyethyl)-6,7-dinitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
Smiles: OCCn1c(=O)c2ccc(c3c2c(c1=O)ccc3[N+](=O)[O-])[N+](=O)[O-]

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Molecular Weight: 331.24
Empirical Formula: C14H9N3O7

Physical State: Dry powder
Available Amount: 72 mg

Lipinsky:
logP: -0.371
Rotatable bonds: 2
H-donors: 1
H-acceptors: 7
PSA: 149
Number of rings: 3

     

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