COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL089805
Chemical Name: 21-nitro-2,3,5,6,8,9,11,12,14,15,17,18-dodecahydro-1,4,7,10,13,16,19-benzoheptaoxacyclohenicosine
Smiles: [O-][N+](=O)c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2

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Molecular Weight: 401.41
Empirical Formula: C18H27NO9

Physical State: Dry powder
Available Amount: 59 mg

Lipinsky:
logP: 0.576
Rotatable bonds: 0
H-donors: 0
H-acceptors: 9
PSA: 110
Number of rings: 2

     

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