[(Z)-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino] 4-chlorobenzoate
Formula:C19H12N3O2ClS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(Z)-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino] 4-chlorobenzoate is not a drug-like molecule.
| MolName | [(Z)-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino] 4-chlorobenzoate |
| MolecularFormula | C19H12N3O2ClS |
| Smiles | O=C(c(cc1)ccc1Cl)O/N=C\c1c(-c2ccccc2)nc2sccn12 |
| InChI | InChI=1S/C19H12ClN3O2S/c20-15-8-6-14(7-9-15)18(24)25-21-12-16-17(13-4-2-1-3-5-13)22-19-23(16)10-11-26-19/h1-12H |
| InChIK | WBFCBBBQFRTPBV-UHFFFAOYSA-N |
| TotalMolweight | 381.842 |
| Molweight | 381.842 |
| MonoisotopicMass | 381.033874 |
| CLogP | 5.4015 |
| CLogS | -5.06 |
| H Acceptors | 5 |
| TotalSurfaceArea | 280.66 |
| Relative PSA | 0.26306 |
| PolarSurfaceArea | 84.2 |
| Druglikeness | -0.92907 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57692 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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