SMILES:
COc1cccc2c(C3=C(c4cn(C)c5cc(I)c(F)cc45)C(=O)NC3=O)coc12Molecular Processing
Molecular formula
C22H14FIN2O4
Molecular weight
516.27
Exact mass
515.9982
XLogP
4.24
TPSA
73.47
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
30
Rings
5
Aromatic rings
4
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.091
Molar refractivity
118.32
Supplementary Information
Details werden geladen…
An 2 Reaktionen beteiligt→