CC(C#N)(Cn1nc2ccc(Cl)cc2n1)NC(=O)c1ccc(OC(F)(F)F)cc1
SMILES: CC(C#N)(Cn1nc2ccc(Cl)cc2n1)NC(=O)c1ccc(OC(F)(F)F)cc1

Molecular Processing

Molecular formula
C18H13ClF3N5O2
Molecular weight
423.78
Exact mass
423.071
XLogP
3.7
TPSA
92.83
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
29
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
97.15

Supplementary Information

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