(E)-1-(4-iodophenyl)-3-(1H-pyrrol-2-yl)prop-2-en-1-one

Formula:C13H10NOI Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1-(4-iodophenyl)-3-(1H-pyrrol-2-yl)prop-2-en-1-one is a drug-like molecule.

MolName	(E)-1-(4-iodophenyl)-3-(1H-pyrrol-2-yl)prop-2-en-1-one
MolecularFormula	C13H10NOI
Smiles	O=C(/C=C/c1ccc[nH]1)c(cc1)ccc1I
InChI	InChI=1S/C13H10INO/c14-11-5-3-10(4-6-11)13(16)8-7-12-2-1-9-15-12/h1-9,15H
InChIK	BXAULYSVVZVWQD-UHFFFAOYSA-N
TotalMolweight	323.128
Molweight	323.128
MonoisotopicMass	322.980712
CLogP	2.5174
CLogS	-3.904
H Acceptors	2
H Donors	1
TotalSurfaceArea	193.12
Relative PSA	0.13996
PolarSurfaceArea	32.86
Druglikeness	2.3363
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.6875
Fragments	1
Non HAtoms	16
NonCHAtoms	3
Electronegative Atoms	3
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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