Название: 3-methyl-2-[6-(m-methoxy-phenyl)-2-hydroxy-3-hexynyl]-2-cyclopentenone ethylene dithioketal
SMILES:
COc1cccc(CCC#CC(O)CC2=C(C)CCC23SCCS3)c1Molecular Processing
Molecular formula
C21H26O2S2
Molecular weight
374.57
Exact mass
374.1374
XLogP
4.67
TPSA
29.46
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
25
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.524
Molar refractivity
109.3
Supplementary Information
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