CCCCC(C)(C)C(O)C=CC1CCC(=O)C1CC=CCCCC(=O)O
SMILES: CCCCC(C)(C)C(O)C=CC1CCC(=O)C1CC=CCCCC(=O)O

Molecular Processing

Molecular formula
C22H36O4
Molecular weight
364.53
Exact mass
364.2614
XLogP
4.92
TPSA
74.6
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
12
Heavy atoms
26
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.727
Molar refractivity
104.92

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→