Name: 6-Chloro-5-(4-chloro-phenyl)-nicotinic acid methyl ester
SMILES:
COC(=O)c1cnc(Cl)c(-c2ccc(Cl)cc2)c1Molecular Processing
Molecular formula
C13H9Cl2NO2
Molecular weight
282.13
Exact mass
281.001
XLogP
3.84
TPSA
39.19
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
18
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.077
Molar refractivity
71.03
Supplementary Information
Details werden geladen…
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