3-[(Z)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]phenol
Formula:C14H11N3OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[(Z)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]phenol is not a drug-like molecule.
| MolName | 3-[(Z)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]phenol |
| MolecularFormula | C14H11N3OS |
| Smiles | Oc1cccc(/C=N\Nc2nc(cccc3)c3s2)c1 |
| InChI | InChI=1S/C14H11N3OS/c18-11-5-3-4-10(8-11)9-15-17-14-16-12-6-1-2-7-13(12)19-14/h1-9,18H,(H,16,17) |
| InChIK | KDVAMBNFSCNBQJ-UHFFFAOYSA-N |
| TotalMolweight | 269.327 |
| Molweight | 269.327 |
| MonoisotopicMass | 269.062282 |
| CLogP | 5.2976 |
| CLogS | -3.82 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 204.89 |
| Relative PSA | 0.32896 |
| PolarSurfaceArea | 85.75 |
| Druglikeness | 2.46 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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