COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK754465
Chemical Name: 2,4-dimethyl-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylidene]aniline
Smiles: Cc1ccc(c(c1)C)/N=C/c1cc2OCOc2cc1[N+](=O)[O-]

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Molecular Weight: 298.3
Empirical Formula: C16H14N2O4

Physical State: Dry powder
Available Amount: 60 mg

Lipinsky:
logP: 3.737
Rotatable bonds: 1
H-donors: 0
H-acceptors: 4
PSA: 76
Number of rings: 3

     

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