COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK633156
Chemical Name: 9-methoxy-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylicacid
Smiles: COc1cc(cc2c1OCCCO2)C(=O)O

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Molecular Weight: 224.21
Empirical Formula: C11H12O5

Physical State: Dry powder
Available Amount: 1909 mg

Lipinsky:
logP: 2.225
Rotatable bonds: 3
H-donors: 1
H-acceptors: 5
PSA: 64
Number of rings: 2

     

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