[(Z)-1,3-benzothiazol-2-ylmethylideneamino] 2-chloropyridine-3-carboxylate
Formula:C14H8N3O2ClS
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[(Z)-1,3-benzothiazol-2-ylmethylideneamino] 2-chloropyridine-3-carboxylate is a drug-like molecule.
| MolName | [(Z)-1,3-benzothiazol-2-ylmethylideneamino] 2-chloropyridine-3-carboxylate |
| MolecularFormula | C14H8N3O2ClS |
| Smiles | O=C(c1cccnc1Cl)O/N=C\c1nc(cccc2)c2s1 |
| InChI | InChI=1S/C14H8ClN3O2S/c15-13-9(4-3-7-16-13)14(19)20-17-8-12-18-10-5-1-2-6-11(10)21-12/h1-8H |
| InChIK | YKEBZVJAUJHJTN-UHFFFAOYSA-N |
| TotalMolweight | 317.756 |
| Molweight | 317.756 |
| MonoisotopicMass | 317.002574 |
| CLogP | 3.6278 |
| CLogS | -3.739 |
| H Acceptors | 5 |
| TotalSurfaceArea | 229.01 |
| Relative PSA | 0.33557 |
| PolarSurfaceArea | 92.68 |
| Druglikeness | -1.5898 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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