SMILES:
N#CN=C(Oc1ccccc1)N(CCCOC1CCCCO1)c1ccc(F)c(F)c1Molecular Processing
Molecular formula
C22H23F2N3O3
Molecular weight
415.44
Exact mass
415.1707
XLogP
4.62
TPSA
67.08
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
30
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
107.98
Supplementary Information
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