이름: 3-(4-bromophenoxy)-6-methoxy-2-(4-methoxyphenyl)benzo[b]thiophene 1-oxide
SMILES:
COc1ccc(C2=C(Oc3ccc(Br)cc3)c3ccc(OC)cc3S2=O)cc1Molecular Processing
Molecular formula
C22H17BrO4S
Molecular weight
457.35
Exact mass
456.0031
XLogP
5.49
TPSA
44.76
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
28
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.091
Molar refractivity
113.98
Supplementary Information
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