CN1CCc2c([N+](=O)[O-])cc3[nH]c(=O)c(=O)[nH]c3c2C1.CS(=O)(=O)O
SMILES: CN1CCc2c([N+](=O)[O-])cc3[nH]c(=O)c(=O)[nH]c3c2C1.CS(=O)(=O)O

Molecular Processing

Molecular formula
C13H16N4O7S
Molecular weight
372.36
Exact mass
372.074
XLogP
-0.38
TPSA
166.47
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
1
Heavy atoms
25
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
2
Fraction Csp3
0.385
Molar refractivity
89.35

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→