Name: ester
SMILES:
CCOC(=O)C1(c2cccs2)CCC1CMolecular Processing
Molecular formula
C12H16O2S
Molecular weight
224.32
Exact mass
224.0871
XLogP
2.98
TPSA
26.3
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
15
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.583
Molar refractivity
61.03
Supplementary Information
Details werden geladen…
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