SMILES:
O=C(Cl)CCC(=O)c1ccc(C(=O)C2(O)CCCCC2)cc1Molecular Processing
Molecular formula
C17H19ClO4
Molecular weight
322.79
Exact mass
322.0972
XLogP
3.29
TPSA
71.44
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
22
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.471
Molar refractivity
83.23
Supplementary Information
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