COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL036436
Chemical Name: 1-(1H-indol-3-yl)-2-nitroethanesulfonate
Smiles: [O-][N+](=O)CC(S(=O)(=O)[O-])c1c[nH]c2c1cccc2

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Saltdata: K+
Molecular Weight: 269.26
Empirical Formula: C10H9N2O5S

Physical State: Dry powder
Available Amount: 1000 mg

Lipinsky:
logP: 0.181
Rotatable bonds: 2
H-donors: 1
H-acceptors: 5
PSA: 127
Number of rings: 2

     

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