SMILES:
CC(C)Nc1cc(-c2[nH]nnc2-c2ccccc2)ccc1[N+](=O)[O-]Molecular Processing
Molecular formula
C17H17N5O2
Molecular weight
323.36
Exact mass
323.1382
XLogP
3.87
TPSA
96.74
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
24
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.176
Molar refractivity
92.67
Supplementary Information
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