이름: 4-amino-3-bromo-N-[2-ethyl-6-methyl-4-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yl)phenyl]benzamide
SMILES:
CCc1cc(C(F)(C(F)(F)F)C(F)(F)C(F)(F)F)cc(C)c1NC(=O)c1ccc(N)c(Br)c1Molecular Processing
Molecular formula
C20H16BrF9N2O
Molecular weight
551.25
Exact mass
550.0302
XLogP
7.08
TPSA
55.12
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
5
Heavy atoms
33
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.35
Molar refractivity
106.91
Supplementary Information
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