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4-(2,4-dichlorophenoxy)-N-[2-oxo-2-[(2Z)-2-(thiophen-2-ylmethylidene)hydrazinyl]ethyl]butanamide

Formula:C17H17N3O3Cl2S Mutagenic:high Tumorigenic:high Reproductive Effective:high 4-(2,4-dichlorophenoxy)-N-[2-oxo-2-[(2Z)-2-(thiophen-2-ylmethylidene)hydrazinyl]ethyl]butanamide is a drug-like molecule.
MolName4-(2,4-dichlorophenoxy)-N-[2-oxo-2-[(2Z)-2-(thiophen-2-ylmethylidene)hydrazinyl]ethyl]butanamide
MolecularFormulaC17H17N3O3Cl2S
SmilesO=C(CCCOc(ccc(Cl)c1)c1Cl)NCC(N/N=C\c1cccs1)=O
InChIInChI=1S/C17H17Cl2N3O3S/c18-12-5-6-15(14(19)9-12)25-7-1-4-16(23)20-11-17(24)22-21-10-13-3-2-8-26-13/h2-3,5-6,8-10H,1,4,7,11H2,(H,20,23)(H,22,24)
InChIKZLIBMHCVAMEGTQ-UHFFFAOYSA-N
TotalMolweight414.312
Molweight414.312
MonoisotopicMass413.036766
CLogP3.8476
CLogS-5.29
H Acceptors6
H Donors2
TotalSurfaceArea308.02
Relative PSA0.29501
PolarSurfaceArea108.03
Druglikeness2.9745
Mutagenichigh
Tumorigenichigh
Reproductive Effectivehigh
Irritanthigh
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.73077
Fragments1
Non HAtoms26
NonCHAtoms9
Electronegative Atoms9
Rotatable Bond9
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms11
Sp3Atoms5
Amides1
StereoCon

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