(E)-3-(2,3-dichlorophenyl)-1-(4-iodophenyl)prop-2-en-1-one

Formula:C15H9OCl2I Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(2,3-dichlorophenyl)-1-(4-iodophenyl)prop-2-en-1-one is a drug-like molecule.

MolName	(E)-3-(2,3-dichlorophenyl)-1-(4-iodophenyl)prop-2-en-1-one
MolecularFormula	C15H9OCl2I
Smiles	O=C(/C=C/c(cccc1Cl)c1Cl)c(cc1)ccc1I
InChI	InChI=1S/C15H9Cl2IO/c16-13-3-1-2-11(15(13)17)6-9-14(19)10-4-7-12(18)8-5-10/h1-9H
InChIK	GPNOMGJNPGHDPI-UHFFFAOYSA-N
TotalMolweight	403.041
Molweight	403.041
MonoisotopicMass	401.907517
CLogP	4.9529
CLogS	-6.328
H Acceptors	1
TotalSurfaceArea	234.39
Relative PSA	0.055634
PolarSurfaceArea	17.07
Druglikeness	0.8775
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.63158
Fragments	1
Non HAtoms	19
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Symmetricatoms	2
StereoCon

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