SMILES:
COC(=O)C1Cc2cc(Nc3ncc(F)c(Nc4ccc(OC(F)(F)F)c(Cl)c4)n3)ccc2O1Molecular Processing
Molecular formula
C21H15ClF4N4O4
Molecular weight
498.82
Exact mass
498.0718
XLogP
5.13
TPSA
94.6
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
6
Heavy atoms
34
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.19
Molar refractivity
113.27
Supplementary Information
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