COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK109413
Chemical Name: (4-methylphenyl)(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)methanone
Smiles: Cc1ccc(cc1)C(=O)c1cc2OCCOc2cc1[N+](=O)[O-]

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Molecular Weight: 299.28
Empirical Formula: C16H13NO5

Physical State: Dry powder
Available Amount: 171 mg

Lipinsky:
logP: 3.659
Rotatable bonds: 1
H-donors: 0
H-acceptors: 5
PSA: 81
Number of rings: 3

     

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