C=C(C)[C@@H]1CC[C@]2(NCCN3CCN(C(=O)C4CC4)CC3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC=C(c6ccc(C(=O)O)cc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12
SMILES: C=C(C)[C@@H]1CC[C@]2(NCCN3CCN(C(=O)C4CC4)CC3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC=C(c6ccc(C(=O)O)cc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12

Molecular Processing

Molecular formula
C46H67N3O3
Molecular weight
710.06
Exact mass
709.5182
XLogP
8.93
TPSA
72.88
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
8
Heavy atoms
52
Rings
8
Aromatic rings
1
Saturated rings
6
Aliphatic rings
7
Stereo centers
9
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.739
Molar refractivity
209.77

Supplementary Information

詳細情報を取得中…

1 件の反応に参加→

拡張検索

部分構造検索→類似構造検索→