Base information

Cat. No.
CAS No.56032-35-0
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C6H6ClN3O3S
Molecular Weight 235.648
Exact Mass 234.982
XLogP3 2.2919
Mr 54.077
PSA 106.13
Sequence -
Atom number 20
Bond number 20
Ring number 1
Rotor number 3
Residues number 0
Canonical smiles COc1nc(SC)nc(c1[N+](=O)[O-])Cl

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