COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK138639
Chemical Name: 1,3-benzodioxol-5-yl[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]methanone
Smiles: Clc1ccc(c(c1)[N+](=O)[O-])N1CCN(CC1)C(=O)c1ccc2c(c1)OCO2

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Molecular Weight: 389.79
Empirical Formula: C18H16ClN3O5

Physical State: Dry powder
Available Amount: 38 mg

Lipinsky:
logP: 2.803
Rotatable bonds: 1
H-donors: 0
H-acceptors: 5
PSA: 87
Number of rings: 4

     

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