SMILES:
OC1Cc2cccc(OCC3CO3)c2CC1OMolecular Processing
Molecular formula
C13H16O4
Molecular weight
236.27
Exact mass
236.1049
XLogP
0.28
TPSA
62.22
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
17
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.538
Molar refractivity
61.1
Supplementary Information
Details werden geladen…
An 1 Reaktionen beteiligt→