(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 |(2E)-2-[(2-chlorophenyl)methylidene]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one is a drug-like molecule.
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 : |