(E)-1-(4-aminophenyl)-3-(5-bromofuran-2-yl)prop-2-en-1-one

Formula:C13H10NO2Br Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-1-(4-aminophenyl)-3-(5-bromofuran-2-yl)prop-2-en-1-one is a drug-like molecule.

MolName	(E)-1-(4-aminophenyl)-3-(5-bromofuran-2-yl)prop-2-en-1-one
MolecularFormula	C13H10NO2Br
Smiles	Nc(cc1)ccc1C(/C=C/c(o1)ccc1Br)=O
InChI	InChI=1S/C13H10BrNO2/c14-13-8-6-11(17-13)5-7-12(16)9-1-3-10(15)4-2-9/h1-8H,15H2
InChIK	YGUKGHIUNSUYLL-UHFFFAOYSA-N
TotalMolweight	292.131
Molweight	292.131
MonoisotopicMass	290.98949
CLogP	2.6378
CLogS	-4.195
H Acceptors	3
H Donors	1
TotalSurfaceArea	194.11
Relative PSA	0.21854
PolarSurfaceArea	56.23
Druglikeness	-1.4135
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.70588
Fragments	1
Non HAtoms	17
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Symmetricatoms	2
Amines	1
Aromatic Amines	1
StereoCon

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