COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: BBL001300
Chemical Name: methyl3-isothiocyanato-5-methyl-1H-pyrrole-2-carboxylate
Smiles: S=C=Nc1cc([nH]c1C(=O)OC)C

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Molecular Weight: 196.23
Empirical Formula: C8H8N2O2S

Available Amount: 0 mg

Lipinsky:
logP: 3.485
Rotatable bonds: 2
H-donors: 1
H-acceptors: 2
PSA: 86
Number of rings: 1

     

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