COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK375889
Chemical Name: (3E)-3-[3-nitro-4-(propan-2-yl)benzylidene]-1H-indene-1,2(3H)-dione
Smiles: O=C1C(=O)c2c(/C/1=C\c1ccc(c(c1)[N+](=O)[O-])C(C)C)cccc2

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Molecular Weight: 321.33
Empirical Formula: C19H15NO4

Physical State: Dry powder
Available Amount: 43 mg

Lipinsky:
logP: 4.872
Rotatable bonds: 2
H-donors: 0
H-acceptors: 4
PSA: 79
Number of rings: 3

     

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