2-[4-[(E)-3-(4-iodophenyl)-3-oxoprop-1-enyl]phenoxy]acetic acid

Formula:C17H13O4I Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[4-[(E)-3-(4-iodophenyl)-3-oxoprop-1-enyl]phenoxy]acetic acid is a drug-like molecule.

MolName	2-[4-[(E)-3-(4-iodophenyl)-3-oxoprop-1-enyl]phenoxy]acetic acid
MolecularFormula	C17H13O4I
Smiles	OC(COc1ccc(/C=C/C(c(cc2)ccc2I)=O)cc1)=O
InChI	InChI=1S/C17H13IO4/c18-14-6-4-13(5-7-14)16(19)10-3-12-1-8-15(9-2-12)22-11-17(20)21/h1-10H,11H2,(H,20,21)
InChIK	KQZWYMCXFJYNIG-UHFFFAOYSA-N
TotalMolweight	408.186
Molweight	408.186
MonoisotopicMass	407.985858
CLogP	2.8009
CLogS	-4.649
H Acceptors	4
H Donors	1
TotalSurfaceArea	251.41
Relative PSA	0.19562
PolarSurfaceArea	63.6
Druglikeness	1.0528
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.72727
Fragments	1
Non HAtoms	22
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	4
AcidicOxygens	1
StereoCon

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