이름: 5-(2,4-Dichloro-phenyl)-2-methyl-6-(4-trifluoromethyl-phenyl)-nicotinic acid ethyl ester
SMILES:
CCOC(=O)c1cc(-c2ccc(Cl)cc2Cl)c(-c2ccc(C(F)(F)F)cc2)nc1CMolecular Processing
Molecular formula
C22H16Cl2F3NO2
Molecular weight
454.28
Exact mass
453.051
XLogP
7.23
TPSA
39.19
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
30
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.182
Molar refractivity
110.82
Supplementary Information
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