2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide

Formula:C15H13N3O3Cl2S Mutagenic:high Tumorigenic:high Reproductive Effective:high 2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide is a drug-like molecule.

MolName2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
MolecularFormulaC15H13N3O3Cl2S
SmilesO=C(CNC(COc(ccc(Cl)c1)c1Cl)=O)N/N=C\c1cccs1
InChIInChI=1S/C15H13Cl2N3O3S/c16-10-3-4-13(12(17)6-10)23-9-15(22)18-8-14(21)20-19-7-11-2-1-5-24-11/h1-7H,8-9H2,(H,18,22)(H,20,21)
InChIKMSZDQZYLOIVFKL-UHFFFAOYSA-N
TotalMolweight386.258
Molweight386.258
MonoisotopicMass385.005466
CLogP2.9388
CLogS-4.75
H Acceptors6
H Donors2
TotalSurfaceArea280.5
Relative PSA0.32396
PolarSurfaceArea108.03
Druglikeness6.8249
Mutagenichigh
Tumorigenichigh
Reproductive Effectivehigh
Irritanthigh
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.70833
Fragments1
Non HAtoms24
NonCHAtoms9
Electronegative Atoms9
Rotatable Bond7
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms11
Sp3Atoms3
Amides1
StereoCon

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