(E)-1-[3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1,2-oxazol-5-yl]-N-[(2,6-dichlorophenyl)methoxy]-1-phenylmethanimine

Formula:C23H13N3O2Cl3F3 Mutagenic:none Tumorigenic:high Reproductive Effective:low (E)-1-[3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1,2-oxazol-5-yl]-N-[(2,6-dichlorophenyl)methoxy]-1-phenylmethanimine is not a drug-like molecule.

MolName(E)-1-[3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1,2-oxazol-5-yl]-N-[(2,6-dichlorophenyl)methoxy]-1-phenylmethanimine
MolecularFormulaC23H13N3O2Cl3F3
SmilesFC(c1cc(Cl)c(-c2noc(/C(/c3ccccc3)=N/OCc(c(Cl)ccc3)c3Cl)c2)nc1)(F)F
InChIInChI=1S/C23H13Cl3F3N3O2/c24-16-7-4-8-17(25)15(16)12-33-32-21(13-5-2-1-3-6-13)20-10-19(31-34-20)22-18(26)9-14(11-30-22)23(27,28)29/h1-11H,12H2
InChIKJGRCQLMSWPSJJO-UHFFFAOYSA-N
TotalMolweight526.728
Molweight526.728
MonoisotopicMass525.002542
CLogP7.0033
CLogS-8.2
H Acceptors5
TotalSurfaceArea362.2
Relative PSA0.15892
PolarSurfaceArea60.51
Druglikeness-5.8973
Mutagenicnone
Tumorigenichigh
Reproductive Effectivelow
Irritanthigh
Nasty Functions
Shape Index0.5
Fragments1
Non HAtoms34
NonCHAtoms11
Electronegative Atoms11
Rotatable Bond7
Rings Closures4
Small Rings4
Aromatic Rings4
Aromatic Atoms23
Sp3Atoms3
Symmetricatoms7
Aromatic Nitrogens2
StereoCon

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