SMILES:
Cc1cc2c3c(cc(C)c2[nH]c1=O)CC(C)(CN=[N+]=[N-])O3Molecular Processing
Molecular formula
C15H16N4O2
Molecular weight
284.32
Exact mass
284.1273
XLogP
3.15
TPSA
90.85
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
21
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
80.79
Supplementary Information
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