N-[(Z)-3-[(2Z)-2-[(4,5-dibromofuran-2-yl)methylidene]hydrazinyl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide

Formula:C21H15N3O3Br2 Mutagenic:high Tumorigenic:none Reproductive Effective:none N-[(Z)-3-[(2Z)-2-[(4,5-dibromofuran-2-yl)methylidene]hydrazinyl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide is not a drug-like molecule.

MolName	N-[(Z)-3-[(2Z)-2-[(4,5-dibromofuran-2-yl)methylidene]hydrazinyl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide
MolecularFormula	C21H15N3O3Br2
Smiles	O=C(/C(/NC(c1ccccc1)=O)=C/c1ccccc1)N/N=C\c(o1)cc(Br)c1Br
InChI	InChI=1S/C21H15Br2N3O3/c22-17-12-16(29-19(17)23)13-24-26-21(28)18(11-14-7-3-1-4-8-14)25-20(27)15-9-5-2-6-10-15/h1-13H,(H,25,27)(H,26,28)
InChIK	QLZSGCQKUQESNO-UHFFFAOYSA-N
TotalMolweight	517.176
Molweight	517.176
MonoisotopicMass	514.948014
CLogP	5.5548
CLogS	-6.579
H Acceptors	6
H Donors	2
TotalSurfaceArea	327.62
Relative PSA	0.22776
PolarSurfaceArea	83.7
Druglikeness	0.87708
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	1,2-dihalo-alkene; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.51724
Fragments	1
Non HAtoms	29
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Symmetricatoms	4
Amides	1
StereoCon

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