COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK201098
Chemical Name: (2Z)-2-(4-chlorophenyl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enenitrile
Smiles: N#C/C(=C\c1cc2OCOc2cc1[N+](=O)[O-])/c1ccc(cc1)Cl

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Molecular Weight: 328.71
Empirical Formula: C16H9ClN2O4

Physical State: Dry powder
Available Amount: 40 mg

Lipinsky:
logP: 5.09
Rotatable bonds: 1
H-donors: 0
H-acceptors: 4
PSA: 88
Number of rings: 3

     

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