SMILES:
CCOC(=O)c1c(-c2ccc(-c3ccccc3C#N)cc2)c(C#N)c(C(F)(F)F)n1CMolecular Processing
Molecular formula
C23H16F3N3O2
Molecular weight
423.39
Exact mass
423.1195
XLogP
5.3
TPSA
78.81
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
31
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.174
Molar refractivity
106.67
Supplementary Information
Details werden geladen…
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