SMILES:
COC(Cn1ccnc1C=O)OCMolecular Processing
Molecular formula
C8H12N2O3
Molecular weight
184.19
Exact mass
184.0848
XLogP
0.31
TPSA
53.35
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
13
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
45.42
Supplementary Information
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