SMILES:
CCCC(O)c1noc(COc2ccc(Cl)cc2Cl)n1Molecular Processing
Molecular formula
C13H14Cl2N2O3
Molecular weight
317.17
Exact mass
316.0381
XLogP
3.79
TPSA
68.38
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
20
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.385
Molar refractivity
74.96
Supplementary Information
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