Base information

Cat. No.
CAS No.780810-20-0
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C13H21Cl2N3O3S
Molecular Weight 370.295
Exact Mass 369.068
XLogP3 0.6742
Mr 96.7259
PSA 111.76
Sequence -
Atom number 43
Bond number 43
Ring number 3
Rotor number 3
Residues number 0
Canonical smiles O=C1[C@@H](N)[C@@H]2N1C(=C(CS2)C[N+]1(C)CCCC1)C(=O)[O-].Cl.Cl

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