COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK772004
Chemical Name: di-tert-butylchloro(3,5-dinitropyridin-2-yl)propanedioate
Smiles: O=C(C(c1ncc(cc1[N+](=O)[O-])[N+](=O)[O-])(C(=O)OC(C)(C)C)Cl)OC(C)(C)C

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Molecular Weight: 417.8
Empirical Formula: C16H20ClN3O8

Physical State: Dry powder
Available Amount: 57 mg

Lipinsky:
logP: 2.948
Rotatable bonds: 5
H-donors: 0
H-acceptors: 8
PSA: 157
Number of rings: 1

     

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