SMILES:
Nc1ncnc2c1nc(NCc1ccc(Br)cc1)n2C1OC(CO)C(O)C1OMolecular Processing
Molecular formula
C17H19BrN6O4
Molecular weight
451.28
Exact mass
450.0651
XLogP
0.39
TPSA
151.57
H-bond donors
5
H-bond acceptors
9
Rotatable bonds
5
Heavy atoms
28
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.353
Molar refractivity
104.21
Supplementary Information
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