SMILES:
CCn1c(=O)c2cnn3c2n(c1=O)CC=C3c1cccc(C(F)(F)F)c1Molecular Processing
Molecular formula
C17H13F3N4O2
Molecular weight
362.31
Exact mass
362.0991
XLogP
2.3
TPSA
61.82
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
26
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.235
Molar refractivity
88.75
Supplementary Information
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