CCCCCCCCCCS(=O)(=O)NC(=O)c1cnc(C(=O)O)c(OC)c1
SMILES: CCCCCCCCCCS(=O)(=O)NC(=O)c1cnc(C(=O)O)c(OC)c1

Molecular Processing

Molecular formula
C18H28N2O6S
Molecular weight
400.5
Exact mass
400.1668
XLogP
2.99
TPSA
122.66
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
13
Heavy atoms
27
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.611
Molar refractivity
101.61

Supplementary Information

詳細情報を取得中…

3 件の反応に参加→

拡張検索

部分構造検索→類似構造検索→