CCCC(C(=O)OCC)S(=O)(=O)c1ccc(OC)cc1
名称: 2-(4-methoxy-benzenesulfonyl)pentanoic acid ethyl ester
SMILES: CCCC(C(=O)OCC)S(=O)(=O)c1ccc(OC)cc1

Molecular Processing

Molecular formula
C14H20O5S
Molecular weight
300.38
Exact mass
300.1031
XLogP
2.2
TPSA
69.67
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
20
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
75.51

Supplementary Information

詳細情報を取得中…

7 件の反応に参加→

拡張検索

部分構造検索→類似構造検索→