Name: 2-(5-bromo-4-cyano-2-fluorophenylamino)-4,4,4-trifluorobutanamide
SMILES:
N#Cc1cc(F)c(NC(CC(F)(F)F)C(N)=O)cc1BrMolecular Processing
Molecular formula
C11H8BrF4N3O
Molecular weight
354.1
Exact mass
352.9787
XLogP
2.68
TPSA
78.91
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
20
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.273
Molar refractivity
66.09
Supplementary Information
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