COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK700994
Chemical Name: 5-nitro-2-[(E)-({2-[(2,4,6-trinitrophenyl)amino]phenyl}imino)methyl]phenol
Smiles: Oc1cc(ccc1/C=N/c1ccccc1Nc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

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Molecular Weight: 468.34
Empirical Formula: C19H12N6O9

Physical State: Dry powder
Available Amount: 284 mg

Lipinsky:
logP: 5.842
Rotatable bonds: 2
H-donors: 2
H-acceptors: 9
PSA: 227
Number of rings: 3

     

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