SMILES:
CCOP(=O)(OCC)C(C#N)=Cc1cc(-n2c(=O)cc(C(F)(F)F)n(C)c2=O)c(F)cc1ClMolecular Processing
Molecular formula
C19H17ClF4N3O5P
Molecular weight
509.78
Exact mass
509.053
XLogP
4.48
TPSA
103.32
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
33
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
14
Covalent units
1
Fraction Csp3
0.316
Molar refractivity
111.7
Supplementary Information
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