SMILES:
Cn1c(=O)n(CCCO)c(=O)c2c(Cc3ccc(Cl)cc3)c(Oc3cncc(F)c3)cnc21Molecular Processing
Molecular formula
C23H20ClFN4O4
Molecular weight
470.89
Exact mass
470.1157
XLogP
3.05
TPSA
99.24
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
33
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
0.217
Molar refractivity
121.47
Supplementary Information
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