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C13H11N3O3S | Cheminformatics
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(2Z)-2-[(3-nitrophenyl)methylidene]-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one

Molecular Formula : C13H11N3O3S | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
(2Z)-2-[(3-nitrophenyl)methylidene]-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one is a drug-like molecule.

MolName : (2Z)-2-[(3-nitrophenyl)methylidene]-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one

MolecularFormula : C13H11N3O3S

Smiles : [O-][N+](c1cccc(/C=C2\N=C3SCCCN3C2=O)c1)=O

InChI : InChI=1S/C13H11N3O3S/c17-12-11(14-13-15(12)5-2-6-20-13)8-9-3-1-4-10(7-9)16(18)19/h1,3-4,7-8H,2,5-6H2

InChIK : JZGOUOWBFXUHJO-UHFFFAOYSA-N

TotalMolweight : 289.314

Molweight : 289.314

MonoisotopicMass : 289.052112

CLogP : 1.014

CLogS : -3.867

H Acceptors : 6

TotalSurfaceArea : 204.43

Relative PSA : 0.37181

PolarSurfaceArea : 103.79

Druglikeness : -0.49475

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : aromatic nitro

Shape Index : 0.55

Fragments : 1

Non HAtoms : 20

NonCHAtoms : 7

Electronegative Atoms : 7

Rotatable Bond : 2

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 1

Aromatic Atoms : 6

Sp3Atoms : 5

Amides : 1

AcidicOxygens : 1

StereoCon :

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1 - (2Z)-2-[(3-nitrophenyl)methylidene]-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one
2 - (2Z)-2-[(3-nitrophenyl)methylidene]-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-3-one
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