SMILES:
CC(C(=O)Nc1ccc(C(=O)O)cc1)n1ccc(-c2cc(Cl)ccc2Br)cc1=OMolecular Processing
Molecular formula
C21H16BrClN2O4
Molecular weight
475.73
Exact mass
473.9982
XLogP
4.83
TPSA
88.4
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
29
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.095
Molar refractivity
115.59
Supplementary Information
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Involved in 1 reactions→