COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL173138
Chemical Name: 3-(carboxymethyl)-1,5-dinitro-3-azabicyclo[3.3.1]non-6-ene-7-carboxylicacid
Smiles: OC(=O)CN1CC2(CC(=CC(C1)(C2)[N+](=O)[O-])C(=O)O)[N+](=O)[O-]

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Molecular Weight: 315.24
Empirical Formula: C11H13N3O8

Physical State: Dry powder
Available Amount: 42 mg

Lipinsky:
logP: 2.041
Rotatable bonds: 5
H-donors: 2
H-acceptors: 8
PSA: 169
Number of rings: 2

     

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