CS(=O)(=O)OCCCC#Cc1cc2c(cc1F)N(C(=O)Oc1ccc(Cl)cc1)CC2
SMILES: CS(=O)(=O)OCCCC#Cc1cc2c(cc1F)N(C(=O)Oc1ccc(Cl)cc1)CC2

Molecular Processing

Molecular formula
C21H19ClFNO5S
Molecular weight
451.9
Exact mass
451.0656
XLogP
4.15
TPSA
72.91
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
30
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
111.83

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→