SMILES:
Cc1nc2c(-n3c(=O)cc(C(F)(F)F)n(C)c3=O)c(F)cc(Cl)c2oc1=OMolecular Processing
Molecular formula
C15H8ClF4N3O4
Molecular weight
405.69
Exact mass
405.0139
XLogP
2.16
TPSA
87.1
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
1
Heavy atoms
27
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
85.82
Supplementary Information
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