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C13H12N2O2S | Cheminformatics
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(2Z)-2-[(3-hydroxyphenyl)methylidene]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one

Molecular Formula : C13H12N2O2S | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
(2Z)-2-[(3-hydroxyphenyl)methylidene]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one is a drug-like molecule.

MolName : (2Z)-2-[(3-hydroxyphenyl)methylidene]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one

MolecularFormula : C13H12N2O2S

Smiles : Oc1cccc(/C=C2\SC3=NCCCN3C2=O)c1

InChI : InChI=1S/C13H12N2O2S/c16-10-4-1-3-9(7-10)8-11-12(17)15-6-2-5-14-13(15)18-11/h1,3-4,7-8,16H,2,5-6H2

InChIK : DWUMJXBUFIOTMW-UHFFFAOYSA-N

TotalMolweight : 260.316

Molweight : 260.316

MonoisotopicMass : 260.061948

CLogP : 1.7193

CLogS : -2.963

H Acceptors : 4

H Donors : 1

TotalSurfaceArea : 187.11

Relative PSA : 0.31367

PolarSurfaceArea : 78.2

Druglikeness : 5.2533

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.55556

Fragments : 1

Non HAtoms : 18

NonCHAtoms : 5

Electronegative Atoms : 5

Rotatable Bond : 1

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 1

Aromatic Atoms : 6

Sp3Atoms : 5

Amides : 1

StereoCon :

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1 - (2Z)-2-[(3-hydroxyphenyl)methylidene]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
2 - (2Z)-2-[(3-hydroxyphenyl)methylidene]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
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