Nombre: 5-(3,4-ethylenedioxyphenyl)-3-hydroxy-2-propionylcyclohex-2-en-1-one
SMILES:
CCC(=O)C1=C(O)CC(c2ccc3c(c2)OCCO3)CC1=OMolecular Processing
Molecular formula
C17H18O5
Molecular weight
302.33
Exact mass
302.1154
XLogP
2.7
TPSA
72.83
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
22
Rings
3
Aromatic rings
1
Saturated rings
0
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.412
Molar refractivity
79.37
Supplementary Information
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