SMILES:
CC(C)(C(=O)Nc1cccc(C(F)(F)F)c1)N1COC(CBr)=C(c2ccccc2)C1=OMolecular Processing
Molecular formula
C22H20BrF3N2O3
Molecular weight
497.31
Exact mass
496.0609
XLogP
5.05
TPSA
58.64
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
31
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.273
Molar refractivity
114.11
Supplementary Information
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