COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK370530
Chemical Name: 5-hydroxy-4,6-dinitro-1,3-benzoxathiol-2-one
Smiles: O=c1sc2c(o1)cc(c(c2[N+](=O)[O-])O)[N+](=O)[O-]

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Saltdata: cyClo-N(CH2)2O(CH2)2
Molecular Weight: 258.17
Empirical Formula: C7H2N2O7S

Physical State: Dry powder
Available Amount: 3 mg

Lipinsky:
logP: 2.394
Rotatable bonds: 1
H-donors: 1
H-acceptors: 7
PSA: 163
Number of rings: 2

     

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