CC(C)(C)OC(=O)N1CCN(c2cc(Cl)c(Cl)cc2[N+](=O)[O-])C(CC(=O)O)C1
SMILES: CC(C)(C)OC(=O)N1CCN(c2cc(Cl)c(Cl)cc2[N+](=O)[O-])C(CC(=O)O)C1

Molecular Processing

Molecular formula
C17H21Cl2N3O6
Molecular weight
434.28
Exact mass
433.0807
XLogP
3.8
TPSA
113.22
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
28
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.529
Molar refractivity
104.31

Supplementary Information

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