SMILES:
COc1ccc(C(C[N+](=O)[O-])SC(=S)N(C)C)cc1Molecular Processing
Molecular formula
C12H16N2O3S2
Molecular weight
300.41
Exact mass
300.0602
XLogP
2.59
TPSA
55.61
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
19
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
81.47
Supplementary Information
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