SMILES:
CC(C)(C)OC(=O)N[C@@H](COc1ncccc1[N+](=O)[O-])C(=O)OMolecular Processing
Molecular formula
C13H17N3O7
Molecular weight
327.29
Exact mass
327.1066
XLogP
1.35
TPSA
140.89
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
23
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
77.18
Supplementary Information
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