SMILES:
c1cc2cc(N3CCOCC3)ccc2s1Molecular Processing
Molecular formula
C12H13NOS
Molecular weight
219.31
Exact mass
219.0718
XLogP
2.74
TPSA
12.47
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
15
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
64.86
Supplementary Information
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