N-[(E)-3-[(2Z)-2-[(5-bromofuran-2-yl)methylidene]hydrazinyl]-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide

Formula:C21H15N4O5Br Mutagenic:high Tumorigenic:high Reproductive Effective:none N-[(E)-3-[(2Z)-2-[(5-bromofuran-2-yl)methylidene]hydrazinyl]-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide is a drug-like molecule.

MolName	N-[(E)-3-[(2Z)-2-[(5-bromofuran-2-yl)methylidene]hydrazinyl]-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide
MolecularFormula	C21H15N4O5Br
Smiles	[O-][N+](c1ccc(/C=C(\C(N/N=C\c(o2)ccc2Br)=O)/NC(c2ccccc2)=O)cc1)=O
InChI	InChI=1S/C21H15BrN4O5/c22-19-11-10-17(31-19)13-23-25-21(28)18(24-20(27)15-4-2-1-3-5-15)12-14-6-8-16(9-7-14)26(29)30/h1-13H,(H,24,27)(H,25,28)
InChIK	UVIFERAYLTZJQN-UHFFFAOYSA-N
TotalMolweight	483.277
Molweight	483.277
MonoisotopicMass	482.022582
CLogP	3.908
CLogS	-6.205
H Acceptors	9
H Donors	2
TotalSurfaceArea	332.66
Relative PSA	0.31576
PolarSurfaceArea	129.52
Druglikeness	-0.31219
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.51613
Fragments	1
Non HAtoms	31
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	1
Symmetricatoms	4
Amides	1
AcidicOxygens	1
StereoCon

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1 - N-[(E)-3-[(2Z)-2-[(5-bromofuran-2-yl)methylidene]hydrazinyl]-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide | 2 - N-[(E)-3-[(2Z)-2-[(5-bromofuran-2-yl)methylidene]hydrazinyl]-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide

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