Name: compound
SMILES:
C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1c(Br)nc2c(N)ncnc21Molecular Processing
Molecular formula
C11H14BrN5O4
Molecular weight
360.17
Exact mass
359.0229
XLogP
-0.83
TPSA
139.54
H-bond donors
4
H-bond acceptors
8
Rotatable bonds
2
Heavy atoms
21
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
4
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.545
Molar refractivity
75.06
Supplementary Information
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