SMILES:
O=C(NCc1ccccn1)c1cc2nc(-c3ccc(Cl)c(Cl)c3)cc(C(F)(F)F)n2n1Molecular Processing
Molecular formula
C20H12Cl2F3N5O
Molecular weight
466.25
Exact mass
465.0371
XLogP
5.05
TPSA
72.18
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
31
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.1
Molar refractivity
108.85
Supplementary Information
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