SMILES:
C#CCCCCNC(=O)c1cnc(OCC2CO2)s1Molecular Processing
Molecular formula
C13H16N2O3S
Molecular weight
280.35
Exact mass
280.0882
XLogP
1.45
TPSA
63.75
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
19
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.538
Molar refractivity
72.37
Supplementary Information
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