SMILES:
OC1(c2nc(-c3ccccc3)cs2)CCC2(CC1)OCCO2Molecular Processing
Molecular formula
C17H19NO3S
Molecular weight
317.41
Exact mass
317.1086
XLogP
3.31
TPSA
51.58
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
22
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.471
Molar refractivity
84.55
Supplementary Information
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