SMILES:
N#CC1CC(F)CN1C(=O)COS(=O)(=O)c1ccccc1Molecular Processing
Molecular formula
C13H13FN2O4S
Molecular weight
312.32
Exact mass
312.058
XLogP
0.85
TPSA
87.47
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
21
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.385
Molar refractivity
70.21
Supplementary Information
Details werden geladen…
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