Name: 1-(4-benzylthiophenyl)-2-(2-chloroethoxy)ethanol
SMILES:
OC(COCCCl)c1ccc(SCc2ccccc2)cc1Molecular Processing
Molecular formula
C17H19ClO2S
Molecular weight
322.86
Exact mass
322.0794
XLogP
4.27
TPSA
29.46
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
8
Heavy atoms
21
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
0.294
Molar refractivity
88.94
Supplementary Information
Details werden geladen…
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