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C12H9N2OClS | Cheminformatics

(2E)-2-[(2-chlorophenyl)methylidene]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one

Molecular Formula : C12H9N2OClS | Mutagenic : none | Tumorigenic : high | Reproductive Effective : none |

MolName : (2E)-2-[(2-chlorophenyl)methylidene]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one

MolecularFormula : C12H9N2OClS

Smiles : O=C(/C(/S1)=C\c(cccc2)c2Cl)N2C1=NCC2

InChI : InChI=1S/C12H9ClN2OS/c13-9-4-2-1-3-8(9)7-10-11(16)15-6-5-14-12(15)17-10/h1-4,7H,5-6H2

InChIK : QMUXVUWKUDKJLK-UHFFFAOYSA-N

TotalMolweight : 264.735

Molweight : 264.735

MonoisotopicMass : 264.01241

CLogP : 2.329

CLogS : -3.725

H Acceptors : 3

TotalSurfaceArea : 182.42

Relative PSA : 0.24992

PolarSurfaceArea : 57.97

Druglikeness : 5.5681

Mutagenic : none

Tumorigenic : high

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.58824

Fragments : 1

Non HAtoms : 17

NonCHAtoms : 5

Electronegative Atoms : 5

Rotatable Bond : 1

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 1

Aromatic Atoms : 6

Sp3Atoms : 3

Amides : 1

StereoCon :

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