SMILES:
FC(F)(F)c1cc(N2CCNCC2)ncn1Molecular Processing
Molecular formula
C9H11F3N4
Molecular weight
232.21
Exact mass
232.0936
XLogP
0.9
TPSA
41.05
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
16
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.556
Molar refractivity
52.12
Supplementary Information
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