Nombre: 7-methoxy-isothiochroman-3-carboxylic acid methyl ester
SMILES:
COC(=O)C1Cc2ccc(OC)cc2CS1Molecular Processing
Molecular formula
C12H14O3S
Molecular weight
238.31
Exact mass
238.0664
XLogP
2.03
TPSA
35.53
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
16
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
63.8
Supplementary Information
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