SMILES:
Fc1ccccc1-n1cc(C2=CCNCC2)nn1Molecular Processing
Molecular formula
C13H13FN4
Molecular weight
244.27
Exact mass
244.1124
XLogP
1.78
TPSA
42.74
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
18
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.231
Molar refractivity
66.78
Supplementary Information
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