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N-[2-oxo-2-[(2Z)-2-(thiophen-2-ylmethylidene)hydrazinyl]ethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

Formula:C16H15N3O4S Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[2-oxo-2-[(2Z)-2-(thiophen-2-ylmethylidene)hydrazinyl]ethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide is a drug-like molecule.
MolNameN-[2-oxo-2-[(2Z)-2-(thiophen-2-ylmethylidene)hydrazinyl]ethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
MolecularFormulaC16H15N3O4S
SmilesO=C(CNC(c(cc1)cc2c1OCCO2)=O)N/N=C\c1cccs1
InChIInChI=1S/C16H15N3O4S/c20-15(19-18-9-12-2-1-7-24-12)10-17-16(21)11-3-4-13-14(8-11)23-6-5-22-13/h1-4,7-9H,5-6,10H2,(H,17,21)(H,19,20)
InChIKIAOCNNYYXOSTJF-UHFFFAOYSA-N
TotalMolweight345.378
Molweight345.378
MonoisotopicMass345.078327
CLogP2.1307
CLogS-3.68
H Acceptors7
H Donors2
TotalSurfaceArea259.92
Relative PSA0.38808
PolarSurfaceArea117.26
Druglikeness-0.25051
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.66667
Fragments1
Non HAtoms24
NonCHAtoms8
Electronegative Atoms8
Rotatable Bond5
Rings Closures3
Small Rings3
Aromatic Rings2
Aromatic Atoms11
Sp3Atoms5
Amides1
StereoCon

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