(5Z)-2-amino-5-[(2-chloroquinolin-3-yl)methylidene]-1,3-thiazol-4-one
Formula:C13H8N3OClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-2-amino-5-[(2-chloroquinolin-3-yl)methylidene]-1,3-thiazol-4-one is a drug-like molecule.
| MolName | (5Z)-2-amino-5-[(2-chloroquinolin-3-yl)methylidene]-1,3-thiazol-4-one |
| MolecularFormula | C13H8N3OClS |
| Smiles | NC(S/C1=C\c2cc3ccccc3nc2Cl)=NC1=O |
| InChI | InChI=1S/C13H8ClN3OS/c14-11-8(6-10-12(18)17-13(15)19-10)5-7-3-1-2-4-9(7)16-11/h1-6H,(H2,15,17,18) |
| InChIK | ICKPUGPEWSCRBK-UHFFFAOYSA-N |
| TotalMolweight | 289.746 |
| Molweight | 289.746 |
| MonoisotopicMass | 289.007659 |
| CLogP | 2.0174 |
| CLogS | -4.494 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 199.98 |
| Relative PSA | 0.34143 |
| PolarSurfaceArea | 93.64 |
| Druglikeness | 2.2865 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57895 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 1 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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