SMILES:
C#CCOc1c(OC)cc(C(=O)Cl)cc1OCMolecular Processing
Molecular formula
C12H11ClO4
Molecular weight
254.67
Exact mass
254.0346
XLogP
2.09
TPSA
44.76
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
17
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
0.25
Molar refractivity
64.06
Supplementary Information
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