2-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-1,3-benzothiazole
Molecular Formula : C17H13NO2S | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |2-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-1,3-benzothiazole is a drug-like molecule.
MolName : 2-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-1,3-benzothiazole |
MolecularFormula : C17H13NO2S |
Smiles : C1Oc(ccc(/C=C/c2nc(cccc3)c3s2)c2)c2OC1 |
InChI : InChI=1S/C17H13NO2S/c1-2-4-16-13(3-1)18-17(21-16)8-6-12-5-7-14-15(11-12)20-10-9-19-14/h1-8,11H,9-10H2 |
InChIK : WYSBOHMDQCWVFM-UHFFFAOYSA-N |
TotalMolweight : 295.361 |
Molweight : 295.361 |
MonoisotopicMass : 295.066699 |
CLogP : 3.8526 |
CLogS : -4.198 |
H Acceptors : 3 |
TotalSurfaceArea : 222.84 |
Relative PSA : 0.23034 |
PolarSurfaceArea : 59.59 |
Druglikeness : -6.3457 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : |
Shape Index : 0.61905 |
Fragments : 1 |
Non HAtoms : 21 |
NonCHAtoms : 4 |
Electronegative Atoms : 4 |
Rotatable Bond : 2 |
Rings Closures : 4 |
Small Rings : 4 |
Aromatic Rings : 3 |
Aromatic Atoms : 15 |
Sp3Atoms : 4 |
Aromatic Nitrogens : 1 |
StereoCon : |