الاسم: 2-bromo-5-fluoro-4-[2-methyl-1-(2-nitro-benzenesulfonyl)-aziridin-2-yl]-pyridine
SMILES:
CC1(c2cc(Br)ncc2F)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-]Molecular Processing
Molecular formula
C14H11BrFN3O4S
Molecular weight
416.23
Exact mass
414.9638
XLogP
2.81
TPSA
93.18
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
24
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.214
Molar refractivity
86.24
Supplementary Information
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