CC12C=CC(C)(O1)C(Cl)=C(Cl)C2=O
SMILES: CC12C=CC(C)(O1)C(Cl)=C(Cl)C2=O

Molecular Processing

Molecular formula
C9H8Cl2O2
Molecular weight
219.07
Exact mass
217.9901
XLogP
2.36
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
13
Rings
2
Aromatic rings
0
Saturated rings
0
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.444
Molar refractivity
50.77

Supplementary Information

詳細情報を取得中…

4 件の反応に参加→

拡張検索

部分構造検索→類似構造検索→