COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK322876
Chemical Name: (2E)-2-(azepan-1-ylcarbonyl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enenitrile
Smiles: N#C/C(=C\c1cc2OCOc2cc1[N+](=O)[O-])/C(=O)N1CCCCCC1

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Molecular Weight: 343.34
Empirical Formula: C17H17N3O5

Available Amount: 0 mg

Lipinsky:
logP: 3.036
Rotatable bonds: 2
H-donors: 0
H-acceptors: 5
PSA: 108
Number of rings: 3

     

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