Name: ester
SMILES:
COC(=O)c1ccc2c(c1)C(OC)c1ccccc1CO2Molecular Processing
Molecular formula
C17H16O4
Molecular weight
284.31
Exact mass
284.1049
XLogP
3.1
TPSA
44.76
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
21
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.235
Molar refractivity
77.41
Supplementary Information
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