SMILES:
O=[N+]([O-])c1cnc(Nc2ccc3c(c2)OCCO3)nc1Nc1ccc2c(c1)OCCO2Molecular Processing
Molecular formula
C20H17N5O6
Molecular weight
423.39
Exact mass
423.1179
XLogP
3.41
TPSA
129.9
H-bond donors
2
H-bond acceptors
10
Rotatable bonds
5
Heavy atoms
31
Rings
5
Aromatic rings
3
Saturated rings
0
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
110.12
Supplementary Information
Récupération des détails…
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