COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK020175
Chemical Name: 2-[(E)-(4-hydroxy-3-methylphenyl)(3-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonicacid
Smiles: CC1=C/C(=C(/c2ccccc2S(=O)(=O)O)\c2ccc(c(c2)C)O)/C=CC1=O

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Molecular Weight: 382.44
Empirical Formula: C21H18O5S

Available Amount: 0 mg

Lipinsky:
logP: 2.99
Rotatable bonds: 5
H-donors: 2
H-acceptors: 5
PSA: 100
Number of rings: 3

     

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