Name: alcohol
SMILES:
CCOC(=O)C1(C(O)c2cccs2)CCC1Molecular Processing
Molecular formula
C12H16O3S
Molecular weight
240.32
Exact mass
240.082
XLogP
2.51
TPSA
46.53
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
16
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.583
Molar refractivity
62.2
Supplementary Information
Details werden geladen…
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