O=CNC1CCC(=O)c2sccc21
SMILES: O=CNC1CCC(=O)c2sccc21

Molecular Processing

Molecular formula
C9H9NO2S
Molecular weight
195.24
Exact mass
195.0354
XLogP
1.51
TPSA
46.17
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
13
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
49.82

Supplementary Information

詳細情報を取得中…

26 件の反応に参加→

拡張検索

部分構造検索→類似構造検索→