COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK134067
Chemical Name: 2-methyl-1-(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-one
Smiles: CC(C(=O)c1cc2OCCOc2cc1[N+](=O)[O-])C

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Molecular Weight: 251.24
Empirical Formula: C12H13NO5

Physical State: Dry powder
Available Amount: 338 mg

Lipinsky:
logP: 2.714
Rotatable bonds: 2
H-donors: 0
H-acceptors: 5
PSA: 81
Number of rings: 2

     

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