N#Cc1nc(C(=O)NCC(=O)O)c(O)c2cc(S(=O)(=O)c3ccccc3)ccc12
SMILES: N#Cc1nc(C(=O)NCC(=O)O)c(O)c2cc(S(=O)(=O)c3ccccc3)ccc12

Molecular Processing

Molecular formula
C19H13N3O6S
Molecular weight
411.4
Exact mass
411.0525
XLogP
1.46
TPSA
157.45
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
29
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.053
Molar refractivity
99.99

Supplementary Information

Details werden geladen…

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