CCOC(=O)c1ccc(C#CC(C)C)c(N)c1
名称: ethyl3-amino-4-(3-methylbut-1-ynyl)benzoate
SMILES: CCOC(=O)c1ccc(C#CC(C)C)c(N)c1

Molecular Processing

Molecular formula
C14H17NO2
Molecular weight
231.29
Exact mass
231.1259
XLogP
2.45
TPSA
52.32
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
17
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.357
Molar refractivity
68.53

Supplementary Information

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