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

Formula:C29H22N3O3Br Mutagenic:high Tumorigenic:high Reproductive Effective:none N-[(2Z,4E)-1-[(2Z)-2-[[5-(4-bromophenyl)furan-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-(4-bromophenyl)furan-2-yl]methylidene]hydrazinyl]-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide
MolecularFormula	C29H22N3O3Br
Smiles	O=C(/C(/NC(c1ccccc1)=O)=C/C=C/c1ccccc1)N/N=C\c1ccc(-c(cc2)ccc2Br)o1
InChI	InChI=1S/C29H22BrN3O3/c30-24-16-14-22(15-17-24)27-19-18-25(36-27)20-31-33-29(35)26(13-7-10-21-8-3-1-4-9-21)32-28(34)23-11-5-2-6-12-23/h1-20H,(H,32,34)(H,33,35)
InChIK	GBLNXETVVXRUDM-UHFFFAOYSA-N
TotalMolweight	540.416
Molweight	540.416
MonoisotopicMass	539.084453
CLogP	7.139
CLogS	-8.072
H Acceptors	6
H Donors	2
TotalSurfaceArea	395.25
Relative PSA	0.18879
PolarSurfaceArea	83.7
Druglikeness	6.305
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	high
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.55556
Fragments	1
Non HAtoms	36
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	23
Symmetricatoms	6
Amides	1
StereoCon

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

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