COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: BBL037521
Chemical Name: 2-(3-methyl-4-nitrophenoxy)butanoicacid
Smiles: CCC(C(=O)O)Oc1ccc(c(c1)C)[N+](=O)[O-]

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Molecular Weight: 239.23
Empirical Formula: C11H13NO5

Physical State: Dry powder
Available Amount: 1000 mg

Lipinsky:
logP: 2.576
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 92
Number of rings: 1

     

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