O=C1OC2(c3ccc(O)cc3Oc3cc(O)c(Cl)cc32)c2c(Cl)c(Cl)c(Cl)c(Cl)c21
SMILES: O=C1OC2(c3ccc(O)cc3Oc3cc(O)c(Cl)cc32)c2c(Cl)c(Cl)c(Cl)c(Cl)c21

Molecular Processing

Molecular formula
C20H7Cl5O5
Molecular weight
504.54
Exact mass
501.8736
XLogP
6.93
TPSA
75.99
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
0
Heavy atoms
30
Rings
5
Aromatic rings
3
Saturated rings
0
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.05
Molar refractivity
113.08

Supplementary Information

詳細情報を取得中…

3 件の反応に参加→

拡張検索

部分構造検索→類似構造検索→