COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK801415
Chemical Name: butyl4-isothiocyanatobenzoate
Smiles: CCCCOC(=O)c1ccc(cc1)N=C=S

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Molecular Weight: 235.31
Empirical Formula: C12H13NO2S

Physical State: Dry powder
Available Amount: 1000 mg

Lipinsky:
logP: 5.182
Rotatable bonds: 4
H-donors: 0
H-acceptors: 2
PSA: 70
Number of rings: 1

     

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