CC(=O)OC1CSC(Oc2cncc(S(=O)(=O)c3ccc(F)cc3)c2)C(OC(C)=O)C1OC(C)=O
SMILES: CC(=O)OC1CSC(Oc2cncc(S(=O)(=O)c3ccc(F)cc3)c2)C(OC(C)=O)C1OC(C)=O

Molecular Processing

Molecular formula
C22H22FNO9S2
Molecular weight
527.55
Exact mass
527.072
XLogP
2.3
TPSA
135.16
H-bond donors
0
H-bond acceptors
11
Rotatable bonds
7
Heavy atoms
35
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
119.62

Supplementary Information

Details werden geladen…

An 1 Reaktionen beteiligt→

Erweiterte Suche

Teilstruktursuche→Ähnlichkeitssuche→