SMILES:
CSC1=[N+]2Cc3ccccc3CC2CS1Molecular Processing
Molecular formula
C12H14NS2+
Molecular weight
236.38
Exact mass
236.0562
XLogP
2.59
TPSA
3.01
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
15
Rings
3
Aromatic rings
1
Saturated rings
0
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
1
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
68.88
Supplementary Information
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