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C13H8N4O3S2 | Cheminformatics
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(5Z)-2-imino-5-[(3-nitrophenyl)methylidene]-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one

Molecular Formula : C13H8N4O3S2 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
(5Z)-2-imino-5-[(3-nitrophenyl)methylidene]-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one is a drug-like molecule.

MolName : (5Z)-2-imino-5-[(3-nitrophenyl)methylidene]-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one

MolecularFormula : C13H8N4O3S2

Smiles : N=C(N(C1=O)c2nccs2)S/C1=C\c1cc([N+]([O-])=O)ccc1

InChI : InChI=1S/C13H8N4O3S2/c14-12-16(13-15-4-5-21-13)11(18)10(22-12)7-8-2-1-3-9(6-8)17(19)20/h1-7,14H

InChIK : IMKKLVYZTATYFJ-UHFFFAOYSA-N

TotalMolweight : 332.364

Molweight : 332.364

MonoisotopicMass : 332.003781

CLogP : 1.5422

CLogS : -4.005

H Acceptors : 7

H Donors : 1

TotalSurfaceArea : 228.45

Relative PSA : 0.48777

PolarSurfaceArea : 156.41

Druglikeness : -1.0483

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : aromatic nitro

Shape Index : 0.54545

Fragments : 1

Non HAtoms : 22

NonCHAtoms : 9

Electronegative Atoms : 9

Rotatable Bond : 3

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 2

Aromatic Atoms : 11

Sp3Atoms : 2

Amides : 1

Aromatic Nitrogens : 1

AcidicOxygens : 1

StereoCon :

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