SMILES:
C#Cc1ccc(C23OCC(C4CCC4)(CO2)CO3)cc1Molecular Processing
Molecular formula
C17H18O3
Molecular weight
270.33
Exact mass
270.1256
XLogP
2.64
TPSA
27.69
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
20
Rings
5
Aromatic rings
1
Saturated rings
4
Aliphatic rings
4
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.529
Molar refractivity
73.69
Supplementary Information
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