Name: TosMIc
SMILES:
[C-]#[N+]CS(=O)(=O)c1ccccc1CMolecular Processing
Molecular formula
C9H9NO2S
Molecular weight
195.24
Exact mass
195.0354
XLogP
1.65
TPSA
38.5
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
13
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
49.83
Supplementary Information
Details werden geladen…
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