(E)-3-(4-bromophenyl)-1-(5-nitrofuran-2-yl)prop-2-en-1-one

Formula:C13H8NO4Br Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(4-bromophenyl)-1-(5-nitrofuran-2-yl)prop-2-en-1-one is a drug-like molecule.

MolName	(E)-3-(4-bromophenyl)-1-(5-nitrofuran-2-yl)prop-2-en-1-one
MolecularFormula	C13H8NO4Br
Smiles	[O-][N+](c1ccc(C(/C=C/c(cc2)ccc2Br)=O)o1)=O
InChI	InChI=1S/C13H8BrNO4/c14-10-4-1-9(2-5-10)3-6-11(16)12-7-8-13(19-12)15(17)18/h1-8H
InChIK	DJCBEORYLJZFOZ-UHFFFAOYSA-N
TotalMolweight	322.114
Molweight	322.114
MonoisotopicMass	320.96367
CLogP	2.6475
CLogS	-5.341
H Acceptors	5
TotalSurfaceArea	209.26
Relative PSA	0.27511
PolarSurfaceArea	76.03
Druglikeness	-3.8436
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.68421
Fragments	1
Non HAtoms	19
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	1
Symmetricatoms	2
AcidicOxygens	1
StereoCon

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