SMILES:
COc1ccc(-c2cc3cc(F)c(F)cc3[nH]2)cc1NCc1ccc(C#N)cc1Molecular Processing
Molecular formula
C23H17F2N3O
Molecular weight
389.41
Exact mass
389.134
XLogP
5.61
TPSA
60.84
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
29
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.087
Molar refractivity
108.69
Supplementary Information
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