الاسم: product
SMILES:
CCOC(=O)CC(=O)CCc1cccc(Cl)c1Molecular Processing
Molecular formula
C13H15ClO3
Molecular weight
254.71
Exact mass
254.071
XLogP
2.79
TPSA
43.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
17
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.385
Molar refractivity
66.03
Supplementary Information
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