Nombre: product
SMILES:
CS(=O)(=O)OCCCC#Cc1ccc(C#N)cc1Molecular Processing
Molecular formula
C13H13NO3S
Molecular weight
263.32
Exact mass
263.0616
XLogP
1.67
TPSA
67.16
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
18
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.308
Molar refractivity
68.06
Supplementary Information
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