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2-chloro-N-[(E)-3-[(2Z)-2-[(6-chloro-1,3-benzodioxol-5-yl)methylidene]hydrazinyl]-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide

Formula:C22H15N3O4Cl2S Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-chloro-N-[(E)-3-[(2Z)-2-[(6-chloro-1,3-benzodioxol-5-yl)methylidene]hydrazinyl]-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide is not a drug-like molecule.
MolName2-chloro-N-[(E)-3-[(2Z)-2-[(6-chloro-1,3-benzodioxol-5-yl)methylidene]hydrazinyl]-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide
MolecularFormulaC22H15N3O4Cl2S
SmilesO=C(/C(/NC(c(cccc1)c1Cl)=O)=C\c1cccs1)N/N=C\c(cc1OCOc1c1)c1Cl
InChIInChI=1S/C22H15Cl2N3O4S/c23-16-6-2-1-5-15(16)21(28)26-18(9-14-4-3-7-32-14)22(29)27-25-11-13-8-19-20(10-17(13)24)31-12-30-19/h1-11H,12H2,(H,26,28)(H,27,29)
InChIKJBIUBTNOLGKVKF-UHFFFAOYSA-N
TotalMolweight488.35
Molweight488.35
MonoisotopicMass487.016031
CLogP6.0083
CLogS-7.659
H Acceptors7
H Donors2
TotalSurfaceArea347.71
Relative PSA0.2901
PolarSurfaceArea117.26
Druglikeness7.5222
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.5
Fragments1
Non HAtoms32
NonCHAtoms10
Electronegative Atoms10
Rotatable Bond6
Rings Closures4
Small Rings4
Aromatic Rings3
Aromatic Atoms17
Sp3Atoms3
Amides1
StereoCon

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