SMILES:
CCOC(=O)C1CC(Sc2ccc(Br)cc2Cl)CC1C(=O)N1CCC(F)(F)C1Molecular Processing
Molecular formula
C19H21BrClF2NO3S
Molecular weight
496.8
Exact mass
495.0082
XLogP
5.02
TPSA
46.61
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
28
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.579
Molar refractivity
107.79
Supplementary Information
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