COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL001040
Chemical Name: (3E)-6-chloro-3-[2-(3-nitrophenyl)-2-oxoethylidene]-3,4-dihydro-2H-1,4-benzoxazin-2-one
Smiles: Clc1ccc2c(c1)[nH]/c(=C/C(=O)c1cccc(c1)[N+](=O)[O-])/c(=O)o2

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Molecular Weight: 344.71
Empirical Formula: C16H9ClN2O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.728
Rotatable bonds: 2
H-donors: 1
H-acceptors: 5
PSA: 101
Number of rings: 3

     

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