SMILES:
O=C1[C@@H]2C[C@H](Oc3ccc(Br)cc3)CN2C(=O)N1c1cc(Cl)cc(Cl)c1Molecular Processing
Molecular formula
C18H13BrCl2N2O3
Molecular weight
456.12
Exact mass
453.9487
XLogP
4.74
TPSA
49.85
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
26
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
103.01
Supplementary Information
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