COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL437085
Chemical Name: 4-(ethoxycarbonyl)-1-{[(E)-(4-nitrophenyl)methylidene]amino}-1H-1,2,3-triazol-5-olate
Smiles: CCOC(=O)c1nnn(c1[O-])/N=C/c1ccc(cc1)[N+](=O)[O-]

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Saltdata: Na+
Molecular Weight: 304.24
Empirical Formula: C12H10N5O5

Physical State: Dry powder
Available Amount: 418 mg

Lipinsky:
logP: 2.17
Rotatable bonds: 4
H-donors: 0
H-acceptors: 5
PSA: 138
Number of rings: 2

     

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