SMILES:
COc1cc(S)ccc1C1CCN(C(=O)OC(C)(C)C)C1Molecular Processing
Molecular formula
C16H23NO3S
Molecular weight
309.43
Exact mass
309.1399
XLogP
3.71
TPSA
38.77
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
21
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.562
Molar refractivity
85.41
Supplementary Information
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