名称: 7-Iodo-1-[5-(trifluoromethyl)furan-2-ylmethyl]-1,2,3,4-tetrahydropyrido[2,3-b]pyrazine
SMILES:
FC(F)(F)c1ccc(CN2CCNc3ncc(I)cc32)o1Molecular Processing
Molecular formula
C13H11F3IN3O
Molecular weight
409.15
Exact mass
408.9899
XLogP
3.73
TPSA
41.3
H-bond donors
1
H-bond acceptors
4
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
8
Covalent units
1
Fraction Csp3
0.308
Molar refractivity
80.2
Supplementary Information
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