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2-(2,4-dichlorophenoxy)-N-[(Z)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]acetamide

Formula:C20H13N2O3Cl2F3 Mutagenic:high Tumorigenic:high Reproductive Effective:high 2-(2,4-dichlorophenoxy)-N-[(Z)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]acetamide is not a drug-like molecule.
MolName2-(2,4-dichlorophenoxy)-N-[(Z)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]acetamide
MolecularFormulaC20H13N2O3Cl2F3
SmilesO=C(COc(ccc(Cl)c1)c1Cl)N/N=C\c1ccc(-c2cc(C(F)(F)F)ccc2)o1
InChIInChI=1S/C20H13Cl2F3N2O3/c21-14-4-6-18(16(22)9-14)29-11-19(28)27-26-10-15-5-7-17(30-15)12-2-1-3-13(8-12)20(23,24)25/h1-10H,11H2,(H,27,28)
InChIKQAZQYKOOZIKBJT-UHFFFAOYSA-N
TotalMolweight457.234
Molweight457.234
MonoisotopicMass456.025531
CLogP5.7757
CLogS-7.211
H Acceptors5
H Donors1
TotalSurfaceArea320.5
Relative PSA0.18758
PolarSurfaceArea63.83
Druglikeness-0.75635
Mutagenichigh
Tumorigenichigh
Reproductive Effectivehigh
Irritanthigh
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.63333
Fragments1
Non HAtoms30
NonCHAtoms10
Electronegative Atoms10
Rotatable Bond7
Rings Closures3
Small Rings3
Aromatic Rings3
Aromatic Atoms17
Sp3Atoms3
Symmetricatoms2
StereoCon

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