2-bromo-N-[(2E,4E)-1-(4-nitroanilino)-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide

Formula:C24H18N3O4Br Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-bromo-N-[(2E,4E)-1-(4-nitroanilino)-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide is a drug-like molecule.

MolName	2-bromo-N-[(2E,4E)-1-(4-nitroanilino)-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide
MolecularFormula	C24H18N3O4Br
Smiles	[O-][N+](c(cc1)ccc1NC(/C(/NC(c(cccc1)c1Br)=O)=C\C=C\c1ccccc1)=O)=O
InChI	InChI=1S/C24H18BrN3O4/c25-21-11-5-4-10-20(21)23(29)27-22(12-6-9-17-7-2-1-3-8-17)24(30)26-18-13-15-19(16-14-18)28(31)32/h1-16H,(H,26,30)(H,27,29)
InChIK	KPUOVCUOTVMYJT-UHFFFAOYSA-N
TotalMolweight	492.328
Molweight	492.328
MonoisotopicMass	491.048068
CLogP	4.884
CLogS	-6.479
H Acceptors	7
H Donors	2
TotalSurfaceArea	344.71
Relative PSA	0.2304
PolarSurfaceArea	104.02
Druglikeness	-3.7099
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions	aromatic nitro
Shape Index	0.5
Fragments	1
Non HAtoms	32
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	1
Symmetricatoms	4
Amides	2
AcidicOxygens	1
StereoCon

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1 - 2-bromo-N-[(2E,4E)-1-(4-nitroanilino)-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide | 2 - 2-bromo-N-[(2E,4E)-1-(4-nitroanilino)-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide

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