SMILES:
COc1cc(N2CCN(C3CCN(C(=O)OC(C)(C)C)CC3)CC2)ccc1[N+](=O)[O-]Molecular Processing
Molecular formula
C21H32N4O5
Molecular weight
420.51
Exact mass
420.2373
XLogP
3.12
TPSA
88.39
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
30
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
114.26
Supplementary Information
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