COC(=O)C1=C(O)c2c(c3ccccc3n2C)S(=O)(=O)N1C
SMILES: COC(=O)C1=C(O)c2c(c3ccccc3n2C)S(=O)(=O)N1C

Molecular Processing

Molecular formula
C14H14N2O5S
Molecular weight
322.34
Exact mass
322.0623
XLogP
1.21
TPSA
88.84
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
1
Heavy atoms
22
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.214
Molar refractivity
79.43

Supplementary Information

詳細情報を取得中…

14 件の反応に参加→

拡張検索

部分構造検索→類似構造検索→