SMILES:
COC(=O)C1Cc2cc(Nc3ncc(F)c(Nc4cc5c(F)c(F)c4OCO5)n3)ccc2O1Molecular Processing
Molecular formula
C21H15F3N4O5
Molecular weight
460.37
Exact mass
460.0995
XLogP
3.59
TPSA
103.83
H-bond donors
2
H-bond acceptors
9
Rotatable bonds
5
Heavy atoms
33
Rings
6
Aromatic rings
3
Saturated rings
0
Aliphatic rings
3
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.19
Molar refractivity
107.61
Supplementary Information
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