COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: BBL017960
Chemical Name: 1-isothiocyanato-2-methyl-4-nitrobenzene
Smiles: S=C=Nc1ccc(cc1C)[N+](=O)[O-]

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Molecular Weight: 194.21
Empirical Formula: C8H6N2O2S

Physical State: Dry powder
Available Amount: 1128 mg

Lipinsky:
logP: 4.08
Rotatable bonds: 0
H-donors: 0
H-acceptors: 2
PSA: 90
Number of rings: 1

     

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