الاسم: ester
SMILES:
COC(=O)c1ccc2c(c1)Cc1ccccc1CO2Molecular Processing
Molecular formula
C16H14O3
Molecular weight
254.28
Exact mass
254.0943
XLogP
2.96
TPSA
35.53
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
19
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.188
Molar refractivity
71.36
Supplementary Information
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