5-bromo-N-[(2Z,4Z)-1-(4-nitroanilino)-1-oxo-5-phenylpenta-2,4-dien-2-yl]furan-2-carboxamide

Formula:C22H16N3O5Br Mutagenic:none Tumorigenic:none Reproductive Effective:none 5-bromo-N-[(2Z,4Z)-1-(4-nitroanilino)-1-oxo-5-phenylpenta-2,4-dien-2-yl]furan-2-carboxamide is a drug-like molecule.

MolName	5-bromo-N-[(2Z,4Z)-1-(4-nitroanilino)-1-oxo-5-phenylpenta-2,4-dien-2-yl]furan-2-carboxamide
MolecularFormula	C22H16N3O5Br
Smiles	[O-][N+](c(cc1)ccc1NC(/C(/NC(c(o1)ccc1Br)=O)=C/C=C\c1ccccc1)=O)=O
InChI	InChI=1S/C22H16BrN3O5/c23-20-14-13-19(31-20)22(28)25-18(8-4-7-15-5-2-1-3-6-15)21(27)24-16-9-11-17(12-10-16)26(29)30/h1-14H,(H,24,27)(H,25,28)
InChIK	RKAYIJTZGGGPLM-UHFFFAOYSA-N
TotalMolweight	482.289
Molweight	482.289
MonoisotopicMass	481.027333
CLogP	4.1701
CLogS	-5.924
H Acceptors	8
H Donors	2
TotalSurfaceArea	334.4
Relative PSA	0.27969
PolarSurfaceArea	117.16
Druglikeness	-4.1679
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions	aromatic nitro
Shape Index	0.51613
Fragments	1
Non HAtoms	31
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	1
Symmetricatoms	4
Amides	2
AcidicOxygens	1
StereoCon

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