SMILES:
Cn1c(N2CCN(CCCOc3ccc([N+](=O)[O-])cc3)CC2)cc(=O)n(C)c1=OMolecular Processing
Molecular formula
C19H25N5O5
Molecular weight
403.44
Exact mass
403.1856
XLogP
0.58
TPSA
102.85
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
29
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.474
Molar refractivity
108.79
Supplementary Information
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