SMILES:
O=C1CCc2cc(CCCN3CCN(c4ccc([N+](=O)[O-])cc4)CC3)ccc2N1Molecular Processing
Molecular formula
C22H26N4O3
Molecular weight
394.48
Exact mass
394.2005
XLogP
3.23
TPSA
78.72
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
29
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.409
Molar refractivity
113.46
Supplementary Information
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