SMILES:
O=C1OC2CNC1C2Molecular Processing
Molecular formula
C5H7NO2
Molecular weight
113.12
Exact mass
113.0477
XLogP
-0.73
TPSA
38.33
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
8
Rings
2
Aromatic rings
0
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.8
Molar refractivity
26.29
Supplementary Information
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