CCCCC[C@H]1[C@@H](CC(=O)[O-])CC[C@H]1O
SMILES: CCCCC[C@H]1[C@@H](CC(=O)[O-])CC[C@H]1O

Molecular Processing

Molecular formula
C12H21O3-
Molecular weight
213.3
Exact mass
213.1496
XLogP
1.09
TPSA
60.36
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
15
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
3
Undefined stereo
0
Formal charge
-1
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.917
Molar refractivity
55.99

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→