SMILES:
CCn1c(=O)c(-c2cc(C(=O)O)cc(F)c2C)nc2cnn(-c3ccc(F)cc3F)c21Molecular Processing
Molecular formula
C21H15F3N4O3
Molecular weight
428.37
Exact mass
428.1096
XLogP
3.69
TPSA
90.01
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
31
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.143
Molar refractivity
105.81
Supplementary Information
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