이름: methyl 4-amino-1,1-dioxotetrahydrothiopyran-4-carboxylate
SMILES:
COC(=O)C1(N)CCS(=O)(=O)CC1Molecular Processing
Molecular formula
C7H13NO4S
Molecular weight
207.25
Exact mass
207.0565
XLogP
-0.93
TPSA
86.46
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
1
Heavy atoms
13
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.857
Molar refractivity
46.82
Supplementary Information
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