이름: title compound
SMILES:
COC(=O)c1cc(-n2nc(-c3c(F)cccc3Cl)[nH]c2=O)ccc1OCMolecular Processing
Molecular formula
C17H13ClFN3O4
Molecular weight
377.76
Exact mass
377.0579
XLogP
2.82
TPSA
86.21
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
26
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.118
Molar refractivity
92.48
Supplementary Information
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