COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK801404
Chemical Name: methyl4-isothiocyanatobenzoate
Smiles: S=C=Nc1ccc(cc1)C(=O)OC

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Molecular Weight: 193.23
Empirical Formula: C9H7NO2S

Physical State: Dry powder
Available Amount: 1013 mg

Lipinsky:
logP: 3.588
Rotatable bonds: 1
H-donors: 0
H-acceptors: 2
PSA: 70
Number of rings: 1

     

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