Name: 2-(3,5-bis-trifluoromethyl-phenyl)-3-(2,4-dichloro-pyrimidin-5-yl)-propionic acid methyl ester
SMILES:
COC(=O)C(Cc1cnc(Cl)nc1Cl)c1cc(C(F)(F)F)cc(C(F)(F)F)c1Molecular Processing
Molecular formula
C16H10Cl2F6N2O2
Molecular weight
447.16
Exact mass
446.0024
XLogP
5.32
TPSA
52.08
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
28
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.312
Molar refractivity
86.96
Supplementary Information
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