COC(=O)c1sccc1N(CCN1CCOCC1)S(C)(=O)=O
SMILES: COC(=O)c1sccc1N(CCN1CCOCC1)S(C)(=O)=O

Molecular Processing

Molecular formula
C13H20N2O5S2
Molecular weight
348.45
Exact mass
348.0814
XLogP
0.63
TPSA
76.15
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
22
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.615
Molar refractivity
85.11

Supplementary Information

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