SMILES:
CCc1c(Br)sc(C)c1C1C(=O)C2C3CCC(O3)C2C1=OMolecular Processing
Molecular formula
C16H17BrO3S
Molecular weight
369.28
Exact mass
368.0082
XLogP
3.41
TPSA
43.37
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
21
Rings
4
Aromatic rings
1
Saturated rings
3
Aliphatic rings
3
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.625
Molar refractivity
83.76
Supplementary Information
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