SMILES:
c1cc2cc(CCOCCCN3CC(OC4CCCCO4)C3)ccc2s1Molecular Processing
Molecular formula
C21H29NO3S
Molecular weight
375.53
Exact mass
375.1868
XLogP
4.08
TPSA
30.93
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
9
Heavy atoms
26
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.619
Molar refractivity
105.87
Supplementary Information
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