COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK034335
Chemical Name: 4-iodo-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylidene]aniline
Smiles: Ic1ccc(cc1)/N=C/c1cc2OCOc2cc1[N+](=O)[O-]

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Molecular Weight: 396.14
Empirical Formula: C14H9IN2O4

Physical State: Dry powder
Available Amount: 128 mg

Lipinsky:
logP: 4.093
Rotatable bonds: 1
H-donors: 0
H-acceptors: 4
PSA: 76
Number of rings: 3

     

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