Название: 4-methoxy-5-methylthiochroman-6-carboxylic acid-1,1-dioxide
SMILES:
COC1CCS(=O)(=O)c2ccc(C(=O)O)c(C)c21Molecular Processing
Molecular formula
C12H14O5S
Molecular weight
270.31
Exact mass
270.0562
XLogP
1.56
TPSA
80.67
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
18
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
64.56
Supplementary Information
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