SMILES:
Cc1ccccc1C(=O)c1ccc(Nc2ccc(Br)cc2COCCO)cc1ClMolecular Processing
Molecular formula
C23H21BrClNO3
Molecular weight
474.78
Exact mass
473.0393
XLogP
5.89
TPSA
58.56
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
8
Heavy atoms
29
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.174
Molar refractivity
120.23
Supplementary Information
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