SMILES:
Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(C(O)c3ccccn3)cc21Molecular Processing
Molecular formula
C20H15BrClFN4O
Molecular weight
461.72
Exact mass
460.0102
XLogP
5.35
TPSA
62.97
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
28
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.1
Molar refractivity
111.41
Supplementary Information
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