이름: 4-(4-chlorophenyl)-3-phenyl-2-butanone
SMILES:
CC(=O)C(Cc1ccc(Cl)cc1)c1ccccc1Molecular Processing
Molecular formula
C16H15ClO
Molecular weight
258.75
Exact mass
258.0811
XLogP
4.26
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
4
Heavy atoms
18
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.188
Molar refractivity
75.02
Supplementary Information
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