COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: BBL017962
Chemical Name: 2-isothiocyanato-1-methoxy-4-nitrobenzene
Smiles: S=C=Nc1cc(ccc1OC)[N+](=O)[O-]

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Molecular Weight: 210.21
Empirical Formula: C8H6N2O3S

Physical State: Dry powder
Available Amount: 1125 mg

Lipinsky:
logP: 4.072
Rotatable bonds: 1
H-donors: 0
H-acceptors: 3
PSA: 99
Number of rings: 1

     

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