CN1C(=O)CC[C@]2(C)c3ccc(Br)cc3CC[C@@H]12
名称: (+)-(4aR)-(10bR)-4-methyl-8-bromo-10b-methyl-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]quinolin-3-one
SMILES: CN1C(=O)CC[C@]2(C)c3ccc(Br)cc3CC[C@@H]12

Molecular Processing

Molecular formula
C15H18BrNO
Molecular weight
308.22
Exact mass
307.0572
XLogP
3.27
TPSA
20.31
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
0
Heavy atoms
18
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.533
Molar refractivity
75.61

Supplementary Information

詳細情報を取得中…

222 件の反応に参加→

拡張検索

部分構造検索→類似構造検索→