1-[(Z)-(diphenylphosphinothioylhydrazinylidene)methyl]-2-nitrobenzene
Formula:C19H16N3O2PS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
1-[(Z)-(diphenylphosphinothioylhydrazinylidene)methyl]-2-nitrobenzene is a drug-like molecule.
| MolName | 1-[(Z)-(diphenylphosphinothioylhydrazinylidene)methyl]-2-nitrobenzene |
| MolecularFormula | C19H16N3O2PS |
| Smiles | [O-][N+](c1c(/C=N\NP(c2ccccc2)(c2ccccc2)=S)cccc1)=O |
| InChI | InChI=1S/C19H16N3O2PS/c23-22(24)19-14-8-7-9-16(19)15-20-21-25(26,17-10-3-1-4-11-17)18-12-5-2-6-13-18/h1-15H,(H,21,26) |
| InChIK | FVSIISJQBYCPSR-UHFFFAOYSA-N |
| TotalMolweight | 381.395 |
| Molweight | 381.395 |
| MonoisotopicMass | 381.070084 |
| CLogP | 4.383 |
| CLogS | -5.828 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 291.4 |
| Relative PSA | 0.29297 |
| PolarSurfaceArea | 112.11 |
| Druglikeness | -17.415 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | low |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.46154 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 8 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 1-[(Z)-(diphenylphosphinothioylhydrazinylidene)methyl]-2-nitrobenzene | 2 - 1-[(Z)-(diphenylphosphinothioylhydrazinylidene)methyl]-2-nitrobenzene
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