SMILES:
COCC(=O)N(C)c1ccc(Cl)c(COc2cccn3c(Br)c(C)nc23)c1ClMolecular Processing
Molecular formula
C19H18BrCl2N3O3
Molecular weight
487.18
Exact mass
484.9909
XLogP
4.9
TPSA
56.07
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
28
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
0.263
Molar refractivity
113.71
Supplementary Information
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