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

Formula:C19H14N4O5S Mutagenic:high Tumorigenic:high Reproductive Effective:none N-[(E)-3-[(2Z)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide is a drug-like molecule.

MolName	N-[(E)-3-[(2Z)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide
MolecularFormula	C19H14N4O5S
Smiles	[O-][N+](c1ccc(/C=N\NC(/C(/NC(c2ccccc2)=O)=C\c2cccs2)=O)o1)=O
InChI	InChI=1S/C19H14N4O5S/c24-18(13-5-2-1-3-6-13)21-16(11-15-7-4-10-29-15)19(25)22-20-12-14-8-9-17(28-14)23(26)27/h1-12H,(H,21,24)(H,22,25)
InChIK	PYMCYSAQRFPLAG-UHFFFAOYSA-N
TotalMolweight	410.409
Molweight	410.409
MonoisotopicMass	410.068491
CLogP	3.3034
CLogS	-6.143
H Acceptors	9
H Donors	2
TotalSurfaceArea	309.97
Relative PSA	0.40456
PolarSurfaceArea	157.76
Druglikeness	5.5393
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.55172
Fragments	1
Non HAtoms	29
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	1
Symmetricatoms	2
Amides	1
AcidicOxygens	1
StereoCon

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1 - N-[(E)-3-[(2Z)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide | 2 - N-[(E)-3-[(2Z)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide

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