Name: ethyl 2-(7-chloro-1-(4-chlorophenyl)-3-methyl-naphthalen-2-yl)-2-oxoacetate
SMILES:
CCOC(=O)C(=O)c1c(C)cc2ccc(Cl)cc2c1-c1ccc(Cl)cc1Molecular Processing
Molecular formula
C21H16Cl2O3
Molecular weight
387.26
Exact mass
386.0476
XLogP
5.87
TPSA
43.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
26
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.143
Molar refractivity
105.1
Supplementary Information
Details werden geladen…
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