SMILES:
CCCc1c(OCCCCCCC(=O)O)ccc(Cl)c1ClMolecular Processing
Molecular formula
C16H22Cl2O3
Molecular weight
333.25
Exact mass
332.0946
XLogP
5.36
TPSA
46.53
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
10
Heavy atoms
21
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
0.562
Molar refractivity
86.67
Supplementary Information
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