SMILES:
O=[N+]([O-])c1nn(C2CCCCO2)cc1-c1cc(Cl)ccc1OMolecular Processing
Molecular formula
C14H14ClN3O4
Molecular weight
323.74
Exact mass
323.0673
XLogP
3.52
TPSA
90.42
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
22
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.357
Molar refractivity
79.83
Supplementary Information
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