SMILES:
Cn1ncc(Cl)c1-c1cc(C(=O)NC(CN)Cc2ccccc2C(F)(F)F)oc1ClMolecular Processing
Molecular formula
C19H17Cl2F3N4O2
Molecular weight
461.27
Exact mass
460.0681
XLogP
4.31
TPSA
86.08
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
30
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
0.263
Molar refractivity
106.39
Supplementary Information
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