SMILES:
FC(F)(F)c1ccc(Nc2ncnc3c2CNCC3)cn1Molecular Processing
Molecular formula
C13H12F3N5
Molecular weight
295.27
Exact mass
295.1045
XLogP
2.28
TPSA
62.73
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
21
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.308
Molar refractivity
69.96
Supplementary Information
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