SMILES:
CCOC(=O)C1C(=O)c2sc(Br)cc2C1c1ccccc1Molecular Processing
Molecular formula
C16H13BrO3S
Molecular weight
365.25
Exact mass
363.9769
XLogP
4.02
TPSA
43.37
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
21
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
84.76
Supplementary Information
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