2-[(5Z)-5-[[1-(4-iodophenyl)pyrrol-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid

Formula:C16H11N2O4IS Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(5Z)-5-[[1-(4-iodophenyl)pyrrol-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid is a drug-like molecule.

MolName	2-[(5Z)-5-[[1-(4-iodophenyl)pyrrol-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid
MolecularFormula	C16H11N2O4IS
Smiles	OC(CN(C(/C(/S1)=C/c2cccn2-c(cc2)ccc2I)=O)C1=O)=O
InChI	InChI=1S/C16H11IN2O4S/c17-10-3-5-11(6-4-10)18-7-1-2-12(18)8-13-15(22)19(9-14(20)21)16(23)24-13/h1-8H,9H2,(H,20,21)
InChIK	GYVREQKVHFHJER-UHFFFAOYSA-N
TotalMolweight	454.239
Molweight	454.239
MonoisotopicMass	453.948426
CLogP	1.5483
CLogS	-5.915
H Acceptors	6
H Donors	1
TotalSurfaceArea	260.86
Relative PSA	0.30718
PolarSurfaceArea	104.91
Druglikeness	-0.68281
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	limit! methylene-thiazolidine-2,4-dione
Shape Index	0.58333
Fragments	1
Non HAtoms	24
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	3
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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