SMILES:
CCN(CC)CCSCC(Cc1ccccc1)C(=O)OCc1ccccc1Molecular Processing
Molecular formula
C23H31NO2S
Molecular weight
385.57
Exact mass
385.2076
XLogP
4.66
TPSA
29.54
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
12
Heavy atoms
27
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.435
Molar refractivity
114.99
Supplementary Information
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