CC1(C)C(C=C(Cl)Cl)C1C(=O)O
SMILES: CC1(C)C(C=C(Cl)Cl)C1C(=O)O

Molecular Processing

Molecular formula
C8H10Cl2O2
Molecular weight
209.07
Exact mass
208.0058
XLogP
2.66
TPSA
37.3
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
2
Heavy atoms
12
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.625
Molar refractivity
48.19

Supplementary Information

詳細情報を取得中…

70 件の反応に参加→

拡張検索

部分構造検索→類似構造検索→