COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK068866
Chemical Name: [(6-nitro-1,3-benzodioxol-5-yl)methylidene]propanedinitrile
Smiles: N#CC(=Cc1cc2OCOc2cc1[N+](=O)[O-])C#N

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Molecular Weight: 243.18
Empirical Formula: C11H5N3O4

Physical State: Dry powder
Available Amount: 114 mg

Lipinsky:
logP: 2.054
Rotatable bonds: 1
H-donors: 0
H-acceptors: 4
PSA: 111
Number of rings: 2

     

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