SMILES:
COc1ccc(C2(C)C(=O)Nc3c(Br)cc(Br)cc3C2=O)cc1NMolecular Processing
Molecular formula
C17H14Br2N2O3
Molecular weight
454.12
Exact mass
451.9371
XLogP
3.9
TPSA
81.42
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
24
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.176
Molar refractivity
99.56
Supplementary Information
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