SMILES:
CCn1cc(C(=O)O)c(=O)c2c(F)c(F)c(N3CCC(CN)C3)c(F)c21Molecular Processing
Molecular formula
C17H18F3N3O3
Molecular weight
369.34
Exact mass
369.13
XLogP
1.92
TPSA
88.56
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
26
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.412
Molar refractivity
90.09
Supplementary Information
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