Nombre: Intermediate 1
SMILES:
O=[N+]([O-])c1ccc(SC2CCCC2)cc1Molecular Processing
Molecular formula
C11H13NO2S
Molecular weight
223.3
Exact mass
223.0667
XLogP
3.63
TPSA
43.14
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
15
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.455
Molar refractivity
61.21
Supplementary Information
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