O=C1C=CC(=O)C2C1C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl
名称: 1,2,3,4,9,9-hexachloro-1,4,4a,8a-tetrahydro-1,4-methanonaphthalene-5,8-dione
SMILES: O=C1C=CC(=O)C2C1C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl

Molecular Processing

Molecular formula
C11H4Cl6O2
Molecular weight
380.87
Exact mass
377.8342
XLogP
3.77
TPSA
34.14
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
19
Rings
3
Aromatic rings
0
Saturated rings
1
Aliphatic rings
3
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.455
Molar refractivity
76.47

Supplementary Information

詳細情報を取得中…

26 件の反応に参加→

拡張検索

部分構造検索→類似構造検索→