SMILES:
NC(=O)C1(c2cccc(Sc3ccc(Br)cc3Cl)c2)CCOCC1Molecular Processing
Molecular formula
C18H17BrClNO2S
Molecular weight
426.76
Exact mass
424.9852
XLogP
4.79
TPSA
52.32
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
24
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.278
Molar refractivity
100.64
Supplementary Information
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