名称: ethyl 2-thioxopiperidine-4-carboxylate
SMILES:
CCOC(=O)C1CCNC(=S)C1Molecular Processing
Molecular formula
C8H13NO2S
Molecular weight
187.26
Exact mass
187.0667
XLogP
0.88
TPSA
38.33
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
12
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.75
Molar refractivity
49.96
Supplementary Information
詳細情報を取得中…
2 件の反応に参加→