COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK674681
Chemical Name: 4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-nitrobenzoicacid
Smiles: COc1ccccc1N1CCN(CC1)c1ccc(cc1[N+](=O)[O-])C(=O)O

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Saltdata: 4-chloro-3-nitrobenzoic acid
Molecular Weight: 357.37
Empirical Formula: C18H19N3O5

Physical State: Dry powder
Available Amount: 47 mg

Lipinsky:
logP: 4.163
Rotatable bonds: 3
H-donors: 1
H-acceptors: 5
PSA: 98
Number of rings: 3

     

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