Name: 4-(3,4-dichlorophenyl)-4-ketobutanoic acid
SMILES:
O=C(O)CCC(=O)c1ccc(Cl)c(Cl)c1Molecular Processing
Molecular formula
C10H8Cl2O3
Molecular weight
247.08
Exact mass
245.985
XLogP
3.04
TPSA
54.37
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
4
Heavy atoms
15
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
0.2
Molar refractivity
57.66
Supplementary Information
Details werden geladen…
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