Name: 2-(1-hydroxyethylidene)-5-(2-chlorophenyl)cyclohexane-1,3-dione
SMILES:
CC(O)=C1C(=O)CC(c2ccccc2Cl)CC1=OMolecular Processing
Molecular formula
C14H13ClO3
Molecular weight
264.71
Exact mass
264.0553
XLogP
3.19
TPSA
54.37
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
18
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
68.77
Supplementary Information
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