O=C([O-])C(=O)c1ccc(C2CCCCC2)c([N+](=O)[O-])c1
名称: 3-nitro-4-cyclohexylphenylglyoxylate
SMILES: O=C([O-])C(=O)c1ccc(C2CCCCC2)c([N+](=O)[O-])c1

Molecular Processing

Molecular formula
C14H14NO5-
Molecular weight
276.27
Exact mass
276.0877
XLogP
1.58
TPSA
100.34
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
20
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
-1
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
68.26

Supplementary Information

詳細情報を取得中…

18 件の反応に参加→

拡張検索

部分構造検索→類似構造検索→