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

Formula:C23H18N3O3Br Mutagenic:high Tumorigenic:high Reproductive Effective:none N-[(2Z,4E)-1-[(2Z)-2-[(5-bromofuran-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-[(5-bromofuran-2-yl)methylidene]hydrazinyl]-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide
MolecularFormula	C23H18N3O3Br
Smiles	O=C(/C(/NC(c1ccccc1)=O)=C/C=C/c1ccccc1)N/N=C\c(o1)ccc1Br
InChI	InChI=1S/C23H18BrN3O3/c24-21-15-14-19(30-21)16-25-27-23(29)20(13-7-10-17-8-3-1-4-9-17)26-22(28)18-11-5-2-6-12-18/h1-16H,(H,26,28)(H,27,29)
InChIK	SLJAYPFZEANQNK-UHFFFAOYSA-N
TotalMolweight	464.318
Molweight	464.318
MonoisotopicMass	463.053153
CLogP	5.4862
CLogS	-6.057
H Acceptors	6
H Donors	2
TotalSurfaceArea	335.49
Relative PSA	0.22242
PolarSurfaceArea	83.7
Druglikeness	4.795
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	high
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.53333
Fragments	1
Non HAtoms	30
NonCHAtoms	7
Electronegative Atoms	7
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-[(5-bromofuran-2-yl)methylidene]hydrazinyl]-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide | 2 - N-[(2Z,4E)-1-[(2Z)-2-[(5-bromofuran-2-yl)methylidene]hydrazinyl]-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide

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