3-[(Z)-(diphenylphosphinothioylhydrazinylidene)methyl]pyridine
Formula:C18H16N3PS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
3-[(Z)-(diphenylphosphinothioylhydrazinylidene)methyl]pyridine is a drug-like molecule.
| MolName | 3-[(Z)-(diphenylphosphinothioylhydrazinylidene)methyl]pyridine |
| MolecularFormula | C18H16N3PS |
| Smiles | S=P(c1ccccc1)(c1ccccc1)N/N=C\c1cnccc1 |
| InChI | InChI=1S/C18H16N3PS/c23-22(17-9-3-1-4-10-17,18-11-5-2-6-12-18)21-20-15-16-8-7-13-19-14-16/h1-15H,(H,21,23) |
| InChIK | CEPILNOSDIYMBN-UHFFFAOYSA-N |
| TotalMolweight | 337.386 |
| Molweight | 337.386 |
| MonoisotopicMass | 337.080254 |
| CLogP | 4.3037 |
| CLogS | -4.573 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 266.49 |
| Relative PSA | 0.24736 |
| PolarSurfaceArea | 79.18 |
| Druglikeness | -11.891 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | low |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.52174 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 8 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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