4-bromo-N-[(E)-3-(furan-2-ylmethylamino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide

Formula:C21H16N3O5Br Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-bromo-N-[(E)-3-(furan-2-ylmethylamino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide is a drug-like molecule.

MolName	4-bromo-N-[(E)-3-(furan-2-ylmethylamino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide
MolecularFormula	C21H16N3O5Br
Smiles	[O-][N+](c1cccc(/C=C(\C(NCc2ccco2)=O)/NC(c(cc2)ccc2Br)=O)c1)=O
InChI	InChI=1S/C21H16BrN3O5/c22-16-8-6-15(7-9-16)20(26)24-19(21(27)23-13-18-5-2-10-30-18)12-14-3-1-4-17(11-14)25(28)29/h1-12H,13H2,(H,23,27)(H,24,26)
InChIK	ZYUKCZSPAFCYPT-UHFFFAOYSA-N
TotalMolweight	470.278
Molweight	470.278
MonoisotopicMass	469.027333
CLogP	3.1255
CLogS	-5.665
H Acceptors	8
H Donors	2
TotalSurfaceArea	321.66
Relative PSA	0.29077
PolarSurfaceArea	117.16
Druglikeness	-3.669
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.46667
Fragments	1
Non HAtoms	30
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Symmetricatoms	2
Amides	2
AcidicOxygens	1
StereoCon

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