Nom: compound ( 4 )
SMILES:
CC(Cl)OC(=O)Sc1ccccc1Molecular Processing
Molecular formula
C9H9ClO2S
Molecular weight
216.69
Exact mass
216.0012
XLogP
3.5
TPSA
26.3
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
13
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
54.1
Supplementary Information
Récupération des détails…
Impliqué dans 9 réactions→