(E)-1-(4-iodophenyl)-3-[(E)-3-(4-iodophenyl)-3-oxoprop-1-enoxy]prop-2-en-1-one

Formula:C18H12O3I2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1-(4-iodophenyl)-3-[(E)-3-(4-iodophenyl)-3-oxoprop-1-enoxy]prop-2-en-1-one is not a drug-like molecule.

MolName	(E)-1-(4-iodophenyl)-3-[(E)-3-(4-iodophenyl)-3-oxoprop-1-enoxy]prop-2-en-1-one
MolecularFormula	C18H12O3I2
Smiles	O=C(/C=C/O/C=C/C(c(cc1)ccc1I)=O)c(cc1)ccc1I
InChI	InChI=1S/C18H12I2O3/c19-15-5-1-13(2-6-15)17(21)9-11-23-12-10-18(22)14-3-7-16(20)8-4-14/h1-12H
InChIK	OXIFIUZKKPMYDQ-UHFFFAOYSA-N
TotalMolweight	530.09
Molweight	530.09
MonoisotopicMass	529.887591
CLogP	3.2821
CLogS	-6.557
H Acceptors	3
TotalSurfaceArea	284.08
Relative PSA	0.12701
PolarSurfaceArea	43.37
Druglikeness	0.062784
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.73913
Fragments	1
Non HAtoms	23
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	1
Symmetricatoms	13
StereoCon

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