SMILES:
O=C1CCC(O)(c2ccc3c(c2)OCO3)CC1Molecular Processing
Molecular formula
C13H14O4
Molecular weight
234.25
Exact mass
234.0892
XLogP
1.75
TPSA
55.76
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
17
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
59.94
Supplementary Information
Details werden geladen…
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