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C12H10N2OS | Cheminformatics

(2Z)-2-benzylidene-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one

Molecular Formula : C12H10N2OS | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |

MolName : (2Z)-2-benzylidene-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one

MolecularFormula : C12H10N2OS

Smiles : O=C(/C(/S1)=C/c2ccccc2)N2C1=NCC2

InChI : InChI=1S/C12H10N2OS/c15-11-10(8-9-4-2-1-3-5-9)16-12-13-6-7-14(11)12/h1-5,8H,6-7H2

InChIK : UHSMCZORRGOZFU-UHFFFAOYSA-N

TotalMolweight : 230.29

Molweight : 230.29

MonoisotopicMass : 230.051383

CLogP : 1.723

CLogS : -2.989

H Acceptors : 3

TotalSurfaceArea : 167

Relative PSA : 0.27299

PolarSurfaceArea : 57.97

Druglikeness : 5.5348

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.625

Fragments : 1

Non HAtoms : 16

NonCHAtoms : 4

Electronegative Atoms : 4

Rotatable Bond : 1

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 1

Aromatic Atoms : 6

Sp3Atoms : 3

Symmetricatoms : 2

Amides : 1

StereoCon :

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