SMILES:
C#CC1(NS(=O)(=O)c2cccc(Cl)c2)CCCCC1Molecular Processing
Molecular formula
C14H16ClNO2S
Molecular weight
297.81
Exact mass
297.059
XLogP
2.95
TPSA
46.17
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
19
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
76.42
Supplementary Information
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