이름: (2Z)-2-[(2E)-3-methoxyprop-2-en-1-ylidene]-1-benzothiophen-3-(2H)-one 1,1-dioxide
SMILES:
CO/C=C/C=C1/C(=O)c2ccccc2S1(=O)=OMolecular Processing
Molecular formula
C12H10O4S
Molecular weight
250.28
Exact mass
250.03
XLogP
1.7
TPSA
60.44
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
17
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.083
Molar refractivity
62.19
Supplementary Information
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