SMILES:
C=CCO[N-]C(=O)c1nc(-c2ccc(Cl)c(OC)c2F)cc(N)c1Cl.[Na+]Molecular Processing
Molecular formula
C16H13Cl2FN3NaO3
Molecular weight
408.19
Exact mass
407.0216
XLogP
1.42
TPSA
88.54
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
26
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
2
Fraction Csp3
0.125
Molar refractivity
94.45
Supplementary Information
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