SMILES:
Cc1cc(F)c2[nH]c(=O)n(C3CCNCC3)c2c1Molecular Processing
Molecular formula
C13H16FN3O
Molecular weight
249.29
Exact mass
249.1277
XLogP
1.7
TPSA
49.82
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
18
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
68.39
Supplementary Information
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