SMILES:
O=C(Nc1ccccc1)Nc1ccc(-c2nn(CC(O)CO)cc2-c2ccnc3[nH]ccc23)cc1Molecular Processing
Molecular formula
C26H24N6O3
Molecular weight
468.52
Exact mass
468.191
XLogP
4.09
TPSA
128.09
H-bond donors
5
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
35
Rings
5
Aromatic rings
5
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.115
Molar refractivity
134.93
Supplementary Information
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