CCOC(=O)CS(=O)(=O)c1ccc(OCCC(C)C)cc1
名称: [4-(3- methyl-butoxy)-phenylsulfonyl]-acetic acid ethyl ester
SMILES: CCOC(=O)CS(=O)(=O)c1ccc(OCCC(C)C)cc1

Molecular Processing

Molecular formula
C15H22O5S
Molecular weight
314.4
Exact mass
314.1188
XLogP
2.45
TPSA
69.67
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
21
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.533
Molar refractivity
80.08

Supplementary Information

詳細情報を取得中…

11 件の反応に参加→

拡張検索

部分構造検索→類似構造検索→