SMILES:
Nc1c(C(=O)C2CCCCC2)cc(-c2cccnc2)cc1[N+](=O)[O-]Molecular Processing
Molecular formula
C18H19N3O3
Molecular weight
325.37
Exact mass
325.1426
XLogP
4
TPSA
99.12
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
24
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
91.65
Supplementary Information
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