SMILES:
CCCC(=O)C1=C(O)CC(C2CCCSC2)CC1=OMolecular Processing
Molecular formula
C15H22O3S
Molecular weight
282.4
Exact mass
282.129
XLogP
3.29
TPSA
54.37
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
19
Rings
2
Aromatic rings
0
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.733
Molar refractivity
77.35
Supplementary Information
Obteniendo detalles…
Participa en 4 reacciones→