COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL443580
Chemical Name: 2-(2-methylbenzyl)butanedioicacid
Smiles: OC(=O)CC(C(=O)O)Cc1ccccc1C

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Molecular Weight: 222.24
Empirical Formula: C12H14O4

Physical State: Dry powder
Available Amount: 3 mg

Lipinsky:
logP: 2.06
Rotatable bonds: 7
H-donors: 2
H-acceptors: 4
PSA: 74
Number of rings: 1

     

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