SMILES:
Cn1cccc1C(=O)C(C#N)C(=O)Nc1ccc(F)cc1Molecular Processing
Molecular formula
C15H12FN3O2
Molecular weight
285.28
Exact mass
285.0914
XLogP
2.13
TPSA
74.89
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
21
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.133
Molar refractivity
73.88
Supplementary Information
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