COc1ccc(CS[C@H]2CO[C@@H](CN=[N+]=[N-])[C@@H]2O)cc1
SMILES: COc1ccc(CS[C@H]2CO[C@@H](CN=[N+]=[N-])[C@@H]2O)cc1

Molecular Processing

Molecular formula
C13H17N3O3S
Molecular weight
295.36
Exact mass
295.0991
XLogP
2.37
TPSA
87.45
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
20
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
3
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.538
Molar refractivity
77.84

Supplementary Information

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Involved in 3 reactions→

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