이름: product
SMILES:
COC(=O)CCC(=O)c1ccc(S)cc1Molecular Processing
Molecular formula
C11H12O3S
Molecular weight
224.28
Exact mass
224.0507
XLogP
2.11
TPSA
43.37
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
15
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
0.273
Molar refractivity
59.27
Supplementary Information
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