SMILES:
CC1OC1(Cn1cncn1)c1ccc(F)cc1FMolecular Processing
Molecular formula
C12H11F2N3O
Molecular weight
251.24
Exact mass
251.087
XLogP
1.87
TPSA
43.24
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
18
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
58.61
Supplementary Information
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