COC1(c2ccc(Cl)c(Cc3ccc(OC(F)(F)F)cc3)c2)OC(CO)C(OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1
SMILES: COC1(c2ccc(Cl)c(Cc3ccc(OC(F)(F)F)cc3)c2)OC(CO)C(OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1

Molecular Processing

Molecular formula
C42H40ClF3O7
Molecular weight
749.22
Exact mass
748.2415
XLogP
8.78
TPSA
75.61
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
15
Heavy atoms
53
Rings
6
Aromatic rings
5
Saturated rings
1
Aliphatic rings
1
Stereo centers
5
Undefined stereo
5
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
193.09

Supplementary Information

詳細情報を取得中…

2 件の反応に参加→

拡張検索

部分構造検索→類似構造検索→