(Z)-3-(3,5-dibromo-4-hydroxyphenyl)-2-(4-iodophenyl)prop-2-enoic acid

Formula:C15H9O3Br2I Mutagenic:none Tumorigenic:none Reproductive Effective:high (Z)-3-(3,5-dibromo-4-hydroxyphenyl)-2-(4-iodophenyl)prop-2-enoic acid is not a drug-like molecule.

MolName	(Z)-3-(3,5-dibromo-4-hydroxyphenyl)-2-(4-iodophenyl)prop-2-enoic acid
MolecularFormula	C15H9O3Br2I
Smiles	OC(/C(/c(cc1)ccc1I)=C\c(cc1Br)cc(Br)c1O)=O
InChI	InChI=1S/C15H9Br2IO3/c16-12-6-8(7-13(17)14(12)19)5-11(15(20)21)9-1-3-10(18)4-2-9/h1-7,19H,(H,20,21)
InChIK	CLNCJLKAPBDQQR-UHFFFAOYSA-N
TotalMolweight	523.941
Molweight	523.941
MonoisotopicMass	521.796315
CLogP	4.3525
CLogS	-5.344
H Acceptors	3
H Donors	2
TotalSurfaceArea	251.72
Relative PSA	0.15589
PolarSurfaceArea	57.53
Druglikeness	-0.8717
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.57143
Fragments	1
Non HAtoms	21
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	5
AcidicOxygens	1
StereoCon

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