SMILES:
NP([O-])ON1C(=O)c2ccccc2C1=O.OC[C@@H]1CC(O)CN1Molecular Processing
Molecular formula
C13H17N3O6P-
Molecular weight
342.27
Exact mass
342.086
XLogP
-1.54
TPSA
148.18
H-bond donors
4
H-bond acceptors
8
Rotatable bonds
3
Heavy atoms
23
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
3
Undefined stereo
2
Formal charge
-1
Heteroatoms
10
Covalent units
2
Fraction Csp3
0.385
Molar refractivity
78.63
Supplementary Information
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