COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL327743
Chemical Name: (2Z,3Z)-2-(1-hydroxyethylidene)-3-(naphthalen-2-ylimino)-7-nitro-2,3-dihydro-1H-inden-1-one
Smiles: C/C(=C/1\C(=N/c2ccc3c(c2)cccc3)\c2c(C1=O)c(ccc2)[N+](=O)[O-])/O

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Molecular Weight: 358.35
Empirical Formula: C21H14N2O4

Physical State: Dry powder
Available Amount: 88 mg

Lipinsky:
logP: 4.752
Rotatable bonds: 1
H-donors: 1
H-acceptors: 4
PSA: 95
Number of rings: 4

     

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