SMILES:
CC(=NOCCO)c1cnc2nnn(C(C)c3c(F)cc4ncccc4c3F)c2n1Molecular Processing
Molecular formula
C19H17F2N7O2
Molecular weight
413.39
Exact mass
413.1412
XLogP
2.39
TPSA
111.2
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
6
Heavy atoms
30
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.263
Molar refractivity
103.84
Supplementary Information
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