COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK513133
Chemical Name: N-(1,3-benzodioxol-5-ylmethyl)-N'-(2-chloro-4-nitrophenyl)ethane-1,2-diamine
Smiles: Clc1cc(ccc1NCCNCc1ccc2c(c1)OCO2)[N+](=O)[O-]

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Molecular Weight: 349.77
Empirical Formula: C16H16ClN3O4

Physical State: Dry powder
Available Amount: 220 mg

Lipinsky:
logP: 3.865
Rotatable bonds: 5
H-donors: 2
H-acceptors: 4
PSA: 88
Number of rings: 3

     

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