SMILES:
O=C(O)c1cn(C2CC2)c2c(F)c(N3Cc4cccc(F)c4C3)c(F)cc2c1=OMolecular Processing
Molecular formula
C21H15F3N2O3
Molecular weight
400.36
Exact mass
400.1035
XLogP
3.97
TPSA
62.54
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
29
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.238
Molar refractivity
99.64
Supplementary Information
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