COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK504586
Chemical Name: dimethyl2-isocyanatobenzene-1,4-dicarboxylate
Smiles: O=C=Nc1cc(ccc1C(=O)OC)C(=O)OC

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Molecular Weight: 235.2
Empirical Formula: C11H9NO5

Physical State: Dry powder
Available Amount: 252 mg

Lipinsky:
logP: 3.704
Rotatable bonds: 4
H-donors: 0
H-acceptors: 5
PSA: 82
Number of rings: 1

     

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