SMILES:
COc1cc(N)ccc1S(=O)(=O)NCCCCCC(=O)OMolecular Processing
Molecular formula
C13H20N2O5S
Molecular weight
316.38
Exact mass
316.1093
XLogP
1.2
TPSA
118.72
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
9
Heavy atoms
21
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
78.7
Supplementary Information
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