COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK784779
Chemical Name: dimethyl5-isothiocyanatobenzene-1,3-dicarboxylate
Smiles: S=C=Nc1cc(cc(c1)C(=O)OC)C(=O)OC

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Molecular Weight: 251.26
Empirical Formula: C11H9NO4S

Physical State: Dry powder
Available Amount: 68 mg

Lipinsky:
logP: 3.592
Rotatable bonds: 4
H-donors: 0
H-acceptors: 4
PSA: 97
Number of rings: 1

     

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