SMILES:
CC(=NOCCO)c1ccc2nnc(C(C)c3c(F)cc4ncccc4c3F)n2n1Molecular Processing
Molecular formula
C20H18F2N6O2
Molecular weight
412.4
Exact mass
412.1459
XLogP
2.84
TPSA
97.79
H-bond donors
1
H-bond acceptors
7
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
10
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
105.21
Supplementary Information
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