Name: 5-chloro-2-methyl-4-isothiazoline-3-one
SMILES:
Cn1sc(Cl)cc1=OMolecular Processing
Molecular formula
C4H4ClNOS
Molecular weight
149.6
Exact mass
148.9702
XLogP
1.1
TPSA
22
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
8
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
34.57
Supplementary Information
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