COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: BBL037710
Chemical Name: 5-[(2,5-dichlorophenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol
Smiles: C=CCn1c(COc2cc(Cl)ccc2Cl)nnc1S

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Molecular Weight: 316.211
Empirical Formula: C12H11Cl2N3OS

Physical State: Dry powder
Available Amount: 1000 mg

Lipinsky:
logP: 4.32
Rotatable bonds: 6
H-donors: 0
H-acceptors: 1
PSA: 78
Number of rings: 2

     

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