Name: 1-chloro-4-(4-acetamidophenyl)-2-oxo-3-butene
SMILES:
CC(=O)Nc1ccc(C=CC(=O)CCl)cc1Molecular Processing
Molecular formula
C12H12ClNO2
Molecular weight
237.69
Exact mass
237.0557
XLogP
2.47
TPSA
46.17
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
4
Heavy atoms
16
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
65.51
Supplementary Information
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