(E)-3-(5-iodofuran-2-yl)-1-pyridin-4-ylprop-2-en-1-one

Formula:C12H8NO2I Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-3-(5-iodofuran-2-yl)-1-pyridin-4-ylprop-2-en-1-one is a drug-like molecule.

MolName	(E)-3-(5-iodofuran-2-yl)-1-pyridin-4-ylprop-2-en-1-one
MolecularFormula	C12H8NO2I
Smiles	O=C(/C=C/c(o1)ccc1I)c1ccncc1
InChI	InChI=1S/C12H8INO2/c13-12-4-2-10(16-12)1-3-11(15)9-5-7-14-8-6-9/h1-8H
InChIK	DLNDQZCGGQDJGL-UHFFFAOYSA-N
TotalMolweight	325.101
Molweight	325.101
MonoisotopicMass	324.959977
CLogP	2.0261
CLogS	-3.506
H Acceptors	3
TotalSurfaceArea	192
Relative PSA	0.19854
PolarSurfaceArea	43.1
Druglikeness	2.4315
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.6875
Fragments	1
Non HAtoms	16
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Symmetricatoms	2
Aromatic Nitrogens	1
StereoCon

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