Cn1c(N2CCN(CCCOc3ccc([N+](=O)[O-])cc3Cl)CC2)cc(=O)n(C)c1=O
SMILES: Cn1c(N2CCN(CCCOc3ccc([N+](=O)[O-])cc3Cl)CC2)cc(=O)n(C)c1=O

Molecular Processing

Molecular formula
C19H24ClN5O5
Molecular weight
437.88
Exact mass
437.1466
XLogP
1.24
TPSA
102.85
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
30
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.474
Molar refractivity
113.8

Supplementary Information

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