SMILES:
c1ccc(N2CC[N+](=c3sccs3)CC2)cc1Molecular Processing
Molecular formula
C13H15N2S2+
Molecular weight
263.41
Exact mass
263.0671
XLogP
2.1
TPSA
6.25
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
17
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
1
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.308
Molar refractivity
75.85
Supplementary Information
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