SMILES:
CCSCCC(=O)C(C)(C)N1COC(C)=C(c2ccccc2)C1=OMolecular Processing
Molecular formula
C19H25NO3S
Molecular weight
347.48
Exact mass
347.1555
XLogP
3.72
TPSA
46.61
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
24
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.474
Molar refractivity
98.54
Supplementary Information
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