2-[5-[(Z)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]furan-2-yl]benzonitrile
Formula:C19H12N4OS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2-[5-[(Z)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]furan-2-yl]benzonitrile is not a drug-like molecule.
| MolName | 2-[5-[(Z)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]furan-2-yl]benzonitrile |
| MolecularFormula | C19H12N4OS |
| Smiles | N#Cc(cccc1)c1-c1ccc(/C=N\Nc2nc(cccc3)c3s2)o1 |
| InChI | InChI=1S/C19H12N4OS/c20-11-13-5-1-2-6-15(13)17-10-9-14(24-17)12-21-23-19-22-16-7-3-4-8-18(16)25-19/h1-10,12H,(H,22,23) |
| InChIK | QZTCINRPFGONKZ-UHFFFAOYSA-N |
| TotalMolweight | 344.397 |
| Molweight | 344.397 |
| MonoisotopicMass | 344.073181 |
| CLogP | 6.4178 |
| CLogS | -6.349 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 269.7 |
| Relative PSA | 0.30393 |
| PolarSurfaceArea | 102.45 |
| Druglikeness | 0.38424 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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