SMILES:
CC(C)NCCS(=O)c1ccc(Cl)cc1Molecular Processing
Molecular formula
C11H16ClNOS
Molecular weight
245.78
Exact mass
245.0641
XLogP
2.45
TPSA
29.1
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
5
Heavy atoms
15
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
0.455
Molar refractivity
65.87
Supplementary Information
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