Cc1ccc2c(c1)C(C)(C)CCC2=O
名称: 1-oxo-4,4,6-trimethyl-1,2,3,4-tetrahydronaphthalene
SMILES: Cc1ccc2c(c1)C(C)(C)CCC2=O

Molecular Processing

Molecular formula
C13H16O
Molecular weight
188.27
Exact mass
188.1201
XLogP
3.25
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
0
Heavy atoms
14
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
1
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
57.77

Supplementary Information

詳細情報を取得中…

5 件の反応に参加→

拡張検索

部分構造検索→類似構造検索→