6-[(Z)-(phenylhydrazinylidene)methyl]pyridine-2-carbothioamide
Formula:C13H12N4S
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
6-[(Z)-(phenylhydrazinylidene)methyl]pyridine-2-carbothioamide is a drug-like molecule.
| MolName | 6-[(Z)-(phenylhydrazinylidene)methyl]pyridine-2-carbothioamide |
| MolecularFormula | C13H12N4S |
| Smiles | NC(c1nc(/C=N\Nc2ccccc2)ccc1)=S |
| InChI | InChI=1S/C13H12N4S/c14-13(18)12-8-4-7-11(16-12)9-15-17-10-5-2-1-3-6-10/h1-9,17H,(H2,14,18) |
| InChIK | CVJXLUUIJHCNTC-UHFFFAOYSA-N |
| TotalMolweight | 256.332 |
| Molweight | 256.332 |
| MonoisotopicMass | 256.078266 |
| CLogP | 3.7332 |
| CLogS | -2.421 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 209.23 |
| Relative PSA | 0.36902 |
| PolarSurfaceArea | 95.39 |
| Druglikeness | 1.7853 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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