CN(CC(=O)c1cccc([N+](=O)[O-])c1)Cc1ccc(Cl)cc1Cl
名称: 2-((2,4-dichlorobenzyl)(methyl)amino)-1-(3-nitrophenyl)ethanone
SMILES: CN(CC(=O)c1cccc([N+](=O)[O-])c1)Cc1ccc(Cl)cc1Cl

Molecular Processing

Molecular formula
C16H14Cl2N2O3
Molecular weight
353.21
Exact mass
352.0381
XLogP
4.22
TPSA
63.45
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
23
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.188
Molar refractivity
90.22

Supplementary Information

詳細情報を取得中…

10 件の反応に参加→

拡張検索

部分構造検索→類似構造検索→