SMILES:
CCCN(C(=O)N(CCCl)N=O)C1OCC(O)C(O)C1OMolecular Processing
Molecular formula
C11H20ClN3O6
Molecular weight
325.75
Exact mass
325.1041
XLogP
-0.52
TPSA
122.9
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
21
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.909
Molar refractivity
73.37
Supplementary Information
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