SMILES:
COc1c(F)c(F)c(N)c2c(=O)c(C(=O)O)cn(C3CC3F)c12Molecular Processing
Molecular formula
C14H11F3N2O4
Molecular weight
328.25
Exact mass
328.0671
XLogP
1.85
TPSA
94.55
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
23
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
74.6
Supplementary Information
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