Name: 2-[3-Bromo-5-(4-methoxyphenyl)-4-methylthien-2-yl]-1,3-dioxolane
SMILES:
COc1ccc(-c2sc(C3OCCO3)c(Br)c2C)cc1Molecular Processing
Molecular formula
C15H15BrO3S
Molecular weight
355.25
Exact mass
353.9925
XLogP
4.54
TPSA
27.69
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
20
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
83.39
Supplementary Information
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