SMILES:
CN1CC[C@@](O)(C#Cc2ccc3c(c2)-n2nc(C(N)=O)c(C(F)(F)F)c2CCO3)C1=OMolecular Processing
Molecular formula
C20H17F3N4O4
Molecular weight
434.37
Exact mass
434.1202
XLogP
0.87
TPSA
110.68
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
1
Heavy atoms
31
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.35
Molar refractivity
100.36
Supplementary Information
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