N-[(2Z,4E)-1-[(2Z)-2-[(4-bromo-5-iodofuran-2-yl)methylidene]hydrazinyl]-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide

Formula:C23H17N3O3BrI Mutagenic:high Tumorigenic:none Reproductive Effective:none N-[(2Z,4E)-1-[(2Z)-2-[(4-bromo-5-iodofuran-2-yl)methylidene]hydrazinyl]-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide is not a drug-like molecule.

MolName	N-[(2Z,4E)-1-[(2Z)-2-[(4-bromo-5-iodofuran-2-yl)methylidene]hydrazinyl]-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide
MolecularFormula	C23H17N3O3BrI
Smiles	O=C(/C(/NC(c1ccccc1)=O)=C/C=C/c1ccccc1)N/N=C\c(o1)cc(Br)c1I
InChI	InChI=1S/C23H17BrIN3O3/c24-19-14-18(31-21(19)25)15-26-28-23(30)20(13-7-10-16-8-3-1-4-9-16)27-22(29)17-11-5-2-6-12-17/h1-15H,(H,27,29)(H,28,30)
InChIK	ZQKHBYNWPBMKLI-UHFFFAOYSA-N
TotalMolweight	590.21
Molweight	590.21
MonoisotopicMass	588.949801
CLogP	5.9233
CLogS	-7.073
H Acceptors	6
H Donors	2
TotalSurfaceArea	361.77
Relative PSA	0.20626
PolarSurfaceArea	83.7
Druglikeness	1.3943
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions	1,2-dihalo-alkene; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.51613
Fragments	1
Non HAtoms	31
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Symmetricatoms	4
Amides	1
StereoCon

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1 - N-[(2Z,4E)-1-[(2Z)-2-[(4-bromo-5-iodofuran-2-yl)methylidene]hydrazinyl]-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide | 2 - N-[(2Z,4E)-1-[(2Z)-2-[(4-bromo-5-iodofuran-2-yl)methylidene]hydrazinyl]-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide

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