COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK057196
Chemical Name: 4-bromo-3-chloro-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylidene]aniline
Smiles: Clc1cc(/N=C/c2cc3OCOc3cc2[N+](=O)[O-])ccc1Br

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Molecular Weight: 383.59
Empirical Formula: C14H8BrClN2O4

Physical State: Dry powder
Available Amount: 119 mg

Lipinsky:
logP: 4.458
Rotatable bonds: 1
H-donors: 0
H-acceptors: 4
PSA: 76
Number of rings: 3

     

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