SMILES:
O=C(C[S+]1CCCC1)c1ccccc1Molecular Processing
Molecular formula
C12H15OS+
Molecular weight
207.32
Exact mass
207.0838
XLogP
2.28
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
3
Heavy atoms
14
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
1
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
61.97
Supplementary Information
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