COc1cc(I)c2c(c1OS(=O)(=O)c1ccsc1)CNC2=O
SMILES: COc1cc(I)c2c(c1OS(=O)(=O)c1ccsc1)CNC2=O

Molecular Processing

Molecular formula
C13H10INO5S2
Molecular weight
451.26
Exact mass
450.9045
XLogP
2.37
TPSA
81.7
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
22
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
0.154
Molar refractivity
89.01

Supplementary Information

詳細情報を取得中…

1 件の反応に参加→

拡張検索

部分構造検索→類似構造検索→