SMILES:
O=[N+]([O-])c1ccc2c(c1)CCN2Molecular Processing
Molecular formula
C8H8N2O2
Molecular weight
164.16
Exact mass
164.0586
XLogP
1.56
TPSA
55.17
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
12
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
45.29
Supplementary Information
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