SMILES:
CCC1(CC)OC(=O)N(C)c2ccc(Nc3cc(F)cc(C#N)c3)cc21Molecular Processing
Molecular formula
C20H20FN3O2
Molecular weight
353.4
Exact mass
353.154
XLogP
5.04
TPSA
65.36
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
26
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
97.98
Supplementary Information
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