COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: BBL000387
Chemical Name: 3-chloro-4-methyl-5-nitrobenzoicacid
Smiles: [O-][N+](=O)c1cc(cc(c1C)Cl)C(=O)O

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Molecular Weight: 215.59
Empirical Formula: C8H6ClNO4

Physical State: Dry powder
Available Amount: 6147 mg

Lipinsky:
logP: 3.384
Rotatable bonds: 2
H-donors: 1
H-acceptors: 4
PSA: 83
Number of rings: 1

     

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