名称: Cholestan-3-one
SMILES:
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12CMolecular Processing
Molecular formula
C27H46O
Molecular weight
386.66
Exact mass
386.3549
XLogP
7.68
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
5
Heavy atoms
28
Rings
4
Aromatic rings
0
Saturated rings
4
Aliphatic rings
4
Stereo centers
8
Undefined stereo
1
Formal charge
0
Heteroatoms
1
Covalent units
1
Fraction Csp3
0.963
Molar refractivity
118.08
Supplementary Information
詳細情報を取得中…
3 件の反応に参加→