SMILES:
CN(C)C1CC2=CNC=C3C=C(C(N)=O)OCC1=C32Molecular Processing
Molecular formula
C14H17N3O2
Molecular weight
259.31
Exact mass
259.1321
XLogP
0.39
TPSA
67.59
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
19
Rings
3
Aromatic rings
0
Saturated rings
0
Aliphatic rings
3
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.357
Molar refractivity
71.65
Supplementary Information
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