CCN(CC)c1ccc(C(=O)c2ccccc2C(=O)O)c(C)c1
名称: 2-(2-methyl-4-(diethylamino)benzoyl)-benzoic acid
SMILES: CCN(CC)c1ccc(C(=O)c2ccccc2C(=O)O)c(C)c1

Molecular Processing

Molecular formula
C19H21NO3
Molecular weight
311.38
Exact mass
311.1521
XLogP
3.77
TPSA
57.61
H-bond donors
1
H-bond acceptors
3
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
4
Covalent units
1
Fraction Csp3
0.263
Molar refractivity
91.57

Supplementary Information

詳細情報を取得中…

40 件の反応に参加→

拡張検索

部分構造検索→類似構造検索→