SMILES:
Cc1nc2c(OCc3c(Cl)ccc(N(C)C(=O)CO)c3Cl)cccn2c1BrMolecular Processing
Molecular formula
C18H16BrCl2N3O3
Molecular weight
473.15
Exact mass
470.9752
XLogP
4.25
TPSA
67.07
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
27
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
108.92
Supplementary Information
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