SMILES:
COC(=O)C1=C(C(N)=O)CCCC1Molecular Processing
Molecular formula
C9H13NO3
Molecular weight
183.21
Exact mass
183.0895
XLogP
0.52
TPSA
69.39
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
13
Rings
1
Aromatic rings
0
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.556
Molar refractivity
46.7
Supplementary Information
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