[(Z)-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino] benzoate
Formula:C13H8N3O2ClS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(Z)-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino] benzoate is a drug-like molecule.
| MolName | [(Z)-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino] benzoate |
| MolecularFormula | C13H8N3O2ClS |
| Smiles | O=C(c1ccccc1)O/N=C\c(n(ccs1)c1n1)c1Cl |
| InChI | InChI=1S/C13H8ClN3O2S/c14-11-10(17-6-7-20-13(17)16-11)8-15-19-12(18)9-4-2-1-3-5-9/h1-8H |
| InChIK | BQGQOZSPQOOAAJ-UHFFFAOYSA-N |
| TotalMolweight | 305.745 |
| Molweight | 305.745 |
| MonoisotopicMass | 305.002574 |
| CLogP | 3.7487 |
| CLogS | -3.045 |
| H Acceptors | 5 |
| TotalSurfaceArea | 220.9 |
| Relative PSA | 0.33422 |
| PolarSurfaceArea | 84.2 |
| Druglikeness | -0.8388 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 14 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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