Name: methyl 3-(4-chloro-benzylidene)-1-methyl-2-oxocylopentanecarboxylate
SMILES:
COC(=O)C1(C)CCC(=Cc2ccc(Cl)cc2)C1=OMolecular Processing
Molecular formula
C15H15ClO3
Molecular weight
278.74
Exact mass
278.071
XLogP
3.27
TPSA
43.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
19
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
73.79
Supplementary Information
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