Name: ethyl 5-cyanotetrahydro-2H-1,2-oxazine-2-carboxylate
SMILES:
CCOC(=O)N1CCC(C#N)CO1Molecular Processing
Molecular formula
C8H12N2O3
Molecular weight
184.19
Exact mass
184.0848
XLogP
0.92
TPSA
62.56
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
13
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.75
Molar refractivity
43.4
Supplementary Information
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