이름: 2-methyl-4-isothiazoline-3-one
SMILES:
Cn1sccc1=OMolecular Processing
Molecular formula
C4H5NOS
Molecular weight
115.16
Exact mass
115.0092
XLogP
0.45
TPSA
22
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
7
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
29.56
Supplementary Information
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