COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK680586
Chemical Name: 3-(2-carboxyethyl)-1,5-dinitro-3-azabicyclo[3.3.1]non-6-ene-6-carboxylicacid
Smiles: OC(=O)CCN1CC2(CC=C(C(C1)(C2)[N+](=O)[O-])C(=O)O)[N+](=O)[O-]

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Molecular Weight: 329.27
Empirical Formula: C12H15N3O8

Physical State: Dry powder
Available Amount: 6 mg

Lipinsky:
logP: 1.963
Rotatable bonds: 6
H-donors: 2
H-acceptors: 8
PSA: 169
Number of rings: 2

     

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