이름: 4-chloro-1-[4-(4-chlorophenyl)-phenoxy]-3,3-dimethyl-butan-2-one
SMILES:
CC(C)(CCl)C(=O)COc1ccc(-c2ccc(Cl)cc2)cc1Molecular Processing
Molecular formula
C18H18Cl2O2
Molecular weight
337.25
Exact mass
336.0684
XLogP
5.22
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
6
Heavy atoms
22
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.278
Molar refractivity
91.89
Supplementary Information
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