CCOC(=O)C(C#N)=C1CC(C)(C)NC(C)(C)C1
Name: ester
SMILES: CCOC(=O)C(C#N)=C1CC(C)(C)NC(C)(C)C1

Molecular Processing

Molecular formula
C14H22N2O2
Molecular weight
250.34
Exact mass
250.1681
XLogP
2.31
TPSA
62.12
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
18
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.714
Molar refractivity
69.8

Supplementary Information

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