SMILES:
O=C(O)C1CN(Cc2ccccc2)CCC1c1cccs1Molecular Processing
Molecular formula
C17H19NO2S
Molecular weight
301.41
Exact mass
301.1136
XLogP
3.44
TPSA
40.54
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
21
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.353
Molar refractivity
84.52
Supplementary Information
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