COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: BBL006388
Chemical Name: 2-[(2,4-dinitrophenyl)sulfanyl]-4,5,6,7-tetrahydro-1H-1,3-diazepine
Smiles: [O-][N+](=O)c1cc(ccc1SC1=NCCCCN1)[N+](=O)[O-]

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Saltdata: HCl
Molecular Weight: 296.31
Empirical Formula: C11H12N4O4S

Available Amount: 0 mg

Lipinsky:
logP: 2.207
Rotatable bonds: 2
H-donors: 1
H-acceptors: 4
PSA: 141
Number of rings: 2

     

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