SMILES:
Cn1ncc(Cl)c1-c1cc(C(=O)NC(CN)Cc2cccc(F)c2)sc1ClMolecular Processing
Molecular formula
C18H17Cl2FN4OS
Molecular weight
427.33
Exact mass
426.0484
XLogP
3.89
TPSA
72.94
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
27
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
106.95
Supplementary Information
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