이름: 7-bromo-1-(2-chloro-3,6-difluorobenzyl)-1,4-dihydropyrazino[2,3-b]pyrazine-2,3-dione
SMILES:
O=c1[nH]c2ncc(Br)nc2n(Cc2c(F)ccc(F)c2Cl)c1=OMolecular Processing
Molecular formula
C13H6BrClF2N4O2
Molecular weight
403.57
Exact mass
401.9331
XLogP
2.22
TPSA
80.64
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
23
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.077
Molar refractivity
82.59
Supplementary Information
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