COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK774056
Chemical Name: (1S,4R,5aR,6R,9aS)-6-methyl-1,2,5a,6,9,9a-hexahydro-1,4-epoxy-3-benzoxepin-5(4H)-one
Smiles: C[C@@H]1C=CC[C@H]2[C@@H]1C(=O)[C@H]1O[C@@H]2CO1

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Molecular Weight: 194.23
Empirical Formula: C11H14O3

Physical State: Dry powder
Available Amount: 67 mg

Lipinsky:
logP: 1.232
Rotatable bonds: 0
H-donors: 0
H-acceptors: 3
PSA: 35
Number of rings: 3

     

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