Name: title compound
SMILES:
COc1cc(-n2nc(-c3c(F)cccc3Cl)[nH]c2=O)ccc1C(=O)OMolecular Processing
Molecular formula
C16H11ClFN3O4
Molecular weight
363.73
Exact mass
363.0422
XLogP
2.73
TPSA
97.21
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
25
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
0.062
Molar refractivity
88.1
Supplementary Information
Details werden geladen…
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