CCCc1cc(CCC=O)n(C(C)(C)C)n1
SMILES: CCCc1cc(CCC=O)n(C(C)(C)C)n1

Molecular Processing

Molecular formula
C13H22N2O
Molecular weight
222.33
Exact mass
222.1732
XLogP
2.72
TPSA
34.89
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
5
Heavy atoms
16
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
0.692
Molar refractivity
65.6

Supplementary Information

詳細情報を取得中…

26 件の反応に参加→

拡張検索

部分構造検索→類似構造検索→