NC1=NC(c2cc(NC(=O)c3ccc(Cl)cn3)ccc2F)(C(F)(F)F)COC1
SMILES: NC1=NC(c2cc(NC(=O)c3ccc(Cl)cn3)ccc2F)(C(F)(F)F)COC1

Molecular Processing

Molecular formula
C17H13ClF4N4O2
Molecular weight
416.76
Exact mass
416.0663
XLogP
3.27
TPSA
89.6
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
28
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.235
Molar refractivity
93.77

Supplementary Information

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