COC(=O)C(CN1C(=O)c2ccc(Cl)cc2C1=O)C1(C)OCCO1
名称: methyl 3-(5-chloro-1,3-dioxo-1,3-dihydro-isoindol-2-yl)-2-(2-methyl-[1,3]dioxolan-2-yl)propionate
SMILES: COC(=O)C(CN1C(=O)c2ccc(Cl)cc2C1=O)C1(C)OCCO1

Molecular Processing

Molecular formula
C16H16ClNO6
Molecular weight
353.76
Exact mass
353.0666
XLogP
1.49
TPSA
82.14
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
24
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.438
Molar refractivity
82.63

Supplementary Information

詳細情報を取得中…

2 件の反応に参加→

拡張検索

部分構造検索→類似構造検索→