SMILES:
COc1ccc2c(c1)c(-c1cccc(F)c1)c(C#N)c(=O)n2Cc1ncnn1CMolecular Processing
Molecular formula
C21H16FN5O2
Molecular weight
389.39
Exact mass
389.1288
XLogP
2.86
TPSA
85.73
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
29
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.143
Molar refractivity
104.97
Supplementary Information
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