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C14H13N2O5IS | Cheminformatics

(5Z)-5-[(5-iodofuran-2-yl)methylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-2,4-dione

Molecular Formula : C14H13N2O5IS | Mutagenic : high | Tumorigenic : high | Reproductive Effective : none |
(5Z)-5-[(5-iodofuran-2-yl)methylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-2,4-dione is a drug-like molecule.

MolName : (5Z)-5-[(5-iodofuran-2-yl)methylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-2,4-dione

MolecularFormula : C14H13N2O5IS

Smiles : O=C(CN(C(/C(/S1)=C/c(o2)ccc2I)=O)C1=O)N1CCOCC1

InChI : InChI=1S/C14H13IN2O5S/c15-11-2-1-9(22-11)7-10-13(19)17(14(20)23-10)8-12(18)16-3-5-21-6-4-16/h1-2,7H,3-6,8H2

InChIK : BSDLPQQVWYDXIX-UHFFFAOYSA-N

TotalMolweight : 448.232

Molweight : 448.232

MonoisotopicMass : 447.958991

CLogP : 0.7847

CLogS : -2.72

H Acceptors : 7

TotalSurfaceArea : 257.08

Relative PSA : 0.34161

PolarSurfaceArea : 105.36

Druglikeness : 5.5359

Mutagenic : high

Tumorigenic : high

Reproductive Effective : none

Irritant : none

Nasty Functions : limit! methylene-thiazolidine-2,4-dione

Shape Index : 0.6087

Fragments : 1

Non HAtoms : 23

NonCHAtoms : 9

Electronegative Atoms : 9

Rotatable Bond : 3

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 1

Aromatic Atoms : 5

Sp3Atoms : 7

Symmetricatoms : 2

Amides : 2

StereoCon :

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