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C24H20N2O4S | Cheminformatics

(5Z)-5-(anthracen-9-ylmethylidene)-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-2,4-dione

Molecular Formula : C24H20N2O4S | Mutagenic : high | Tumorigenic : high | Reproductive Effective : none |
(5Z)-5-(anthracen-9-ylmethylidene)-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-2,4-dione is a drug-like molecule.

MolName : (5Z)-5-(anthracen-9-ylmethylidene)-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-2,4-dione

MolecularFormula : C24H20N2O4S

Smiles : O=C(CN(C(/C(/S1)=C/c2c(cccc3)c3cc3ccccc23)=O)C1=O)N1CCOCC1

InChI : InChI=1S/C24H20N2O4S/c27-22(25-9-11-30-12-10-25)15-26-23(28)21(31-24(26)29)14-20-18-7-3-1-5-16(18)13-17-6-2-4-8-19(17)20/h1-8,13-14H,9-12,15H2

InChIK : LGUFAAMJPMNQAJ-UHFFFAOYSA-N

TotalMolweight : 432.499

Molweight : 432.499

MonoisotopicMass : 432.114378

CLogP : 3.4503

CLogS : -5.471

H Acceptors : 6

TotalSurfaceArea : 310.31

Relative PSA : 0.23754

PolarSurfaceArea : 92.22

Druglikeness : 4.3523

Mutagenic : high

Tumorigenic : high

Reproductive Effective : none

Irritant : high

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

Shape Index : 0.48387

Fragments : 1

Non HAtoms : 31

NonCHAtoms : 7

Electronegative Atoms : 7

Rotatable Bond : 3

Rings Closures : 5

Small Rings : 5

Aromatic Rings : 3

Aromatic Atoms : 14

Sp3Atoms : 7

Symmetricatoms : 8

Amides : 2

StereoCon :

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