COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL575024
Chemical Name: 3-bromo-4,4-dichloro-N,N'-bis(3-methylphenyl)-2-nitrobuta-1,3-diene-1,1-diamine
Smiles: Cc1cccc(c1)N/C(=C(/C(=C(Cl)Cl)Br)\[N+](=O)[O-])/Nc1cccc(c1)C

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Molecular Weight: 457.15
Empirical Formula: C18H16BrCl2N3O2

Physical State: Dry powder
Available Amount: 3 mg

Lipinsky:
logP: 4.736
Rotatable bonds: 1
H-donors: 2
H-acceptors: 2
PSA: 69
Number of rings: 2

     

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