COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL375760
Chemical Name: 1-methoxy-5-methyl-4-[(E)-2-nitroethenyl]-2-(propan-2-yl)benzene
Smiles: COc1cc(C)c(cc1C(C)C)/C=C/[N+](=O)[O-]

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Molecular Weight: 235.28
Empirical Formula: C13H17NO3

Physical State: Dry powder
Available Amount: 390 mg

Lipinsky:
logP: 3.889
Rotatable bonds: 3
H-donors: 0
H-acceptors: 3
PSA: 55
Number of rings: 1

     

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