COC(=O)c1ccc(OCCCBr)cc1NC(=O)c1ccc(OC(F)(F)F)cc1
SMILES: COC(=O)c1ccc(OCCCBr)cc1NC(=O)c1ccc(OC(F)(F)F)cc1

Molecular Processing

Molecular formula
C19H17BrF3NO5
Molecular weight
476.25
Exact mass
475.0242
XLogP
4.79
TPSA
73.86
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
29
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.263
Molar refractivity
102.77

Supplementary Information

詳細情報を取得中…

8 件の反応に参加→

拡張検索

部分構造検索→類似構造検索→