COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK023063
Chemical Name: 1,3-benzodioxol-5-yl[4-(4-nitrophenyl)piperazin-1-yl]methanone
Smiles: O=C(c1ccc2c(c1)OCO2)N1CCN(CC1)c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 355.35
Empirical Formula: C18H17N3O5

Physical State: Dry powder
Available Amount: 479 mg

Lipinsky:
logP: 1.498
Rotatable bonds: 1
H-donors: 0
H-acceptors: 5
PSA: 87
Number of rings: 4

     

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