COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK422698
Chemical Name: methyl(2Z)-3-(6-chloro-1,3-benzodioxol-5-yl)-2-cyanoprop-2-enoate
Smiles: COC(=O)/C(=C\c1cc2OCOc2cc1Cl)/C#N

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Molecular Weight: 265.65
Empirical Formula: C12H8ClNO4

Physical State: Dry powder
Available Amount: 1181 mg

Lipinsky:
logP: 2.461
Rotatable bonds: 3
H-donors: 0
H-acceptors: 4
PSA: 68
Number of rings: 2

     

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