COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK856882
Chemical Name: (2Z)-2-(4-chlorobenzylidene)-7-[(dimethylammonio)methyl]-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Smiles: Clc1ccc(cc1)/C=C/1\Oc2c(C1=O)ccc(c2C[NH+](C)C)[O-]

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Molecular Weight: 329.78
Empirical Formula: C18H16ClNO3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.255
Rotatable bonds: 2
H-donors: 1
H-acceptors: 3
PSA: 53
Number of rings: 3

     

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