SMILES:
CC(C)Oc1cc(Nc2nc(Cl)c(C#N)cc2F)n[nH]1Molecular Processing
Molecular formula
C12H11ClFN5O
Molecular weight
295.7
Exact mass
295.0636
XLogP
3
TPSA
86.62
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
20
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
71.55
Supplementary Information
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