Name: 7-Iodo-1-(2,4,5-trifluorobenzyl)-1,2,3,4-tetrahydropyrido[2,3-b]pyrazine
SMILES:
Fc1cc(F)c(CN2CCNc3ncc(I)cc32)cc1FMolecular Processing
Molecular formula
C14H11F3IN3
Molecular weight
405.16
Exact mass
404.995
XLogP
3.54
TPSA
28.16
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
21
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.214
Molar refractivity
82.81
Supplementary Information
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