SMILES:
CCOC(=O)CSCCCCC(O)c1ccco1Molecular Processing
Molecular formula
C13H20O4S
Molecular weight
272.37
Exact mass
272.1082
XLogP
2.78
TPSA
59.67
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
9
Heavy atoms
18
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.615
Molar refractivity
71.48
Supplementary Information
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