Name: 2-(2-methyl-4-(diethylamino)benzoyl)-3,4,5,6-tetrachlorobenzoic acid
SMILES:
CCN(CC)c1ccc(C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(=O)O)c(C)c1Molecular Processing
Molecular formula
C19H17Cl4NO3
Molecular weight
449.16
Exact mass
446.9963
XLogP
6.38
TPSA
57.61
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
27
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.263
Molar refractivity
111.61
Supplementary Information
Details werden geladen…
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