2-hydroxy-2,2-diphenyl-N-[(Z)-[5-(2,4,5-trichlorophenyl)furan-2-yl]methylideneamino]acetamide

Formula:C25H17N2O3Cl3 Mutagenic:high Tumorigenic:high Reproductive Effective:high 2-hydroxy-2,2-diphenyl-N-[(Z)-[5-(2,4,5-trichlorophenyl)furan-2-yl]methylideneamino]acetamide is not a drug-like molecule.

MolName2-hydroxy-2,2-diphenyl-N-[(Z)-[5-(2,4,5-trichlorophenyl)furan-2-yl]methylideneamino]acetamide
MolecularFormulaC25H17N2O3Cl3
SmilesOC(C(N/N=C\c1ccc(-c(c(Cl)c2)cc(Cl)c2Cl)o1)=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H17Cl3N2O3/c26-20-14-22(28)21(27)13-19(20)23-12-11-18(33-23)15-29-30-24(31)25(32,16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-15,32H,(H,30,31)
InChIKGLHDDBFCGLQSIV-UHFFFAOYSA-N
TotalMolweight499.78
Molweight499.78
MonoisotopicMass498.030474
CLogP6.2388
CLogS-8.095
H Acceptors5
H Donors2
TotalSurfaceArea359.22
Relative PSA0.17599
PolarSurfaceArea74.83
Druglikeness7.4419
Mutagenichigh
Tumorigenichigh
Reproductive Effectivehigh
Irritanthigh
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde; polyhalo aromatic ring
Shape Index0.51515
Fragments1
Non HAtoms33
NonCHAtoms8
Electronegative Atoms8
Rotatable Bond6
Rings Closures4
Small Rings4
Aromatic Rings4
Aromatic Atoms23
Sp3Atoms2
Symmetricatoms8
StereoCon

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