4-[(Z)-(diphenylphosphinothioylhydrazinylidene)methyl]benzonitrile
Formula:C20H16N3PS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
4-[(Z)-(diphenylphosphinothioylhydrazinylidene)methyl]benzonitrile is not a drug-like molecule.
| MolName | 4-[(Z)-(diphenylphosphinothioylhydrazinylidene)methyl]benzonitrile |
| MolecularFormula | C20H16N3PS |
| Smiles | N#Cc1ccc(/C=N\NP(c2ccccc2)(c2ccccc2)=S)cc1 |
| InChI | InChI=1S/C20H16N3PS/c21-15-17-11-13-18(14-12-17)16-22-23-24(25,19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-14,16H,(H,23,25) |
| InChIK | DAHSKRMQGDATCJ-UHFFFAOYSA-N |
| TotalMolweight | 361.408 |
| Molweight | 361.408 |
| MonoisotopicMass | 361.080254 |
| CLogP | 5.1402 |
| CLogS | -6.141 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 289.44 |
| Relative PSA | 0.2367 |
| PolarSurfaceArea | 90.08 |
| Druglikeness | -16.171 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | low |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.56 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 10 |
| StereoCon |
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