COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: BBL028113
Chemical Name: 3-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,4,5-trihydroxycyclohexanecarboxylicacid
Smiles: O=C(OC1CC(O)(CC(C1O)O)C(=O)O)/C=C/c1ccc(c(c1)O)O

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Molecular Weight: 354.31
Empirical Formula: C16H18O9

Physical State: Dry powder
Available Amount: 1016 mg

Lipinsky:
logP: -0.356
Rotatable bonds: 11
H-donors: 6
H-acceptors: 9
PSA: 164
Number of rings: 2

     

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