(E)-2-benzyl-3-(4-hydroxy-3,5-diiodophenyl)prop-2-enoic acid

Formula:C16H12O3I2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-2-benzyl-3-(4-hydroxy-3,5-diiodophenyl)prop-2-enoic acid is not a drug-like molecule.

MolName	(E)-2-benzyl-3-(4-hydroxy-3,5-diiodophenyl)prop-2-enoic acid
MolecularFormula	C16H12O3I2
Smiles	OC(/C(/Cc1ccccc1)=C/c(cc1I)cc(I)c1O)=O
InChI	InChI=1S/C16H12I2O3/c17-13-8-11(9-14(18)15(13)19)7-12(16(20)21)6-10-4-2-1-3-5-10/h1-5,7-9,19H,6H2,(H,20,21)
InChIK	ZXDPDUBTDMQOSF-UHFFFAOYSA-N
TotalMolweight	506.068
Molweight	506.068
MonoisotopicMass	505.887591
CLogP	4.0507
CLogS	-4.994
H Acceptors	3
H Donors	2
TotalSurfaceArea	254.5
Relative PSA	0.15418
PolarSurfaceArea	57.53
Druglikeness	0.2019
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.57143
Fragments	1
Non HAtoms	21
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	5
AcidicOxygens	1
StereoCon

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