이름: 3-bromo-6-methoxy-2-(4-methoxyphenyl)benzo[b]thiophene 1-oxide
SMILES:
COc1ccc(C2=C(Br)c3ccc(OC)cc3S2=O)cc1Molecular Processing
Molecular formula
C16H13BrO3S
Molecular weight
365.25
Exact mass
363.9769
XLogP
4.05
TPSA
35.53
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
21
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
88.14
Supplementary Information
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