SMILES:
O=[N+]([O-])c1ccccc1C1CCCn2cncc21Molecular Processing
Molecular formula
C13H13N3O2
Molecular weight
243.27
Exact mass
243.1008
XLogP
2.72
TPSA
60.96
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
18
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.308
Molar refractivity
66.4
Supplementary Information
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