SMILES:
Cc1c(Br)c(F)c(O)c(NC(=O)C(C)(C)COCc2ccccc2)c1C#NMolecular Processing
Molecular formula
C20H20BrFN2O3
Molecular weight
435.29
Exact mass
434.0641
XLogP
4.66
TPSA
82.35
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
27
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
103.73
Supplementary Information
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