CC1=CCC(C(=O)Cl)CC1
SMILES: CC1=CCC(C(=O)Cl)CC1

Molecular Processing

Molecular formula
C8H11ClO
Molecular weight
158.63
Exact mass
158.0498
XLogP
2.5
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
1
Heavy atoms
10
Rings
1
Aromatic rings
0
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.625
Molar refractivity
41.96

Supplementary Information

詳細情報を取得中…

11 件の反応に参加→

拡張検索

部分構造検索→類似構造検索→