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4-(2,4-dichlorophenoxy)-N-[2-[(2Z)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]butanamide

Formula:C19H19N3O4Cl2 Mutagenic:high Tumorigenic:high Reproductive Effective:high 4-(2,4-dichlorophenoxy)-N-[2-[(2Z)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]butanamide is a drug-like molecule.
MolName4-(2,4-dichlorophenoxy)-N-[2-[(2Z)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]butanamide
MolecularFormulaC19H19N3O4Cl2
SmilesOc1cccc(/C=N\NC(CNC(CCCOc(ccc(Cl)c2)c2Cl)=O)=O)c1
InChIInChI=1S/C19H19Cl2N3O4/c20-14-6-7-17(16(21)10-14)28-8-2-5-18(26)22-12-19(27)24-23-11-13-3-1-4-15(25)9-13/h1,3-4,6-7,9-11,25H,2,5,8,12H2,(H,22,26)(H,24,27)
InChIKUZPWJSKZDOGDMF-UHFFFAOYSA-N
TotalMolweight424.283
Molweight424.283
MonoisotopicMass423.075261
CLogP3.6353
CLogS-4.984
H Acceptors7
H Donors3
TotalSurfaceArea318.43
Relative PSA0.26257
PolarSurfaceArea100.02
Druglikeness1.326
Mutagenichigh
Tumorigenichigh
Reproductive Effectivehigh
Irritanthigh
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.71429
Fragments1
Non HAtoms28
NonCHAtoms9
Electronegative Atoms9
Rotatable Bond9
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms6
Amides1
StereoCon

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