COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK734220
Chemical Name: 2-(4-nitrophenyl)-4-(pentan-3-yl)hexahydro-4H-1,3-benzodioxine
Smiles: CCC(C1OC(OC2C1CCCC2)c1ccc(cc1)[N+](=O)[O-])CC

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Molecular Weight: 333.43
Empirical Formula: C19H27NO4

Physical State: Dry powder
Available Amount: 57 mg

Lipinsky:
logP: 5.619
Rotatable bonds: 3
H-donors: 0
H-acceptors: 4
PSA: 64
Number of rings: 3

     

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