COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: BBL029973
Chemical Name: 4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanoicacid
Smiles: OC(=O)CCCn1nc(c(c1C)[N+](=O)[O-])C

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Molecular Weight: 227.22
Empirical Formula: C9H13N3O4

Physical State: Dry powder
Available Amount: 1005 mg

Lipinsky:
logP: 1.383
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 100
Number of rings: 1

     

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