SMILES:
CCCc1c(OCCCCCC(=O)O)ccc(Cl)c1ClMolecular Processing
Molecular formula
C15H20Cl2O3
Molecular weight
319.23
Exact mass
318.0789
XLogP
4.97
TPSA
46.53
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
9
Heavy atoms
20
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.533
Molar refractivity
82.06
Supplementary Information
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