COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK104359
Chemical Name: (2E)-3-(1,3-benzodioxol-5-yl)-2-[(4-methylphenyl)carbonyl]prop-2-enenitrile
Smiles: N#C/C(=C\c1ccc2c(c1)OCO2)/C(=O)c1ccc(cc1)C

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Molecular Weight: 291.31
Empirical Formula: C18H13NO3

Physical State: Dry powder
Available Amount: 93 mg

Lipinsky:
logP: 4.246
Rotatable bonds: 2
H-donors: 0
H-acceptors: 3
PSA: 59
Number of rings: 3

     

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