2-[(Z)-(diphenylphosphinothioylhydrazinylidene)methyl]-5-nitrofuran
Formula:C17H14N3O3PS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
2-[(Z)-(diphenylphosphinothioylhydrazinylidene)methyl]-5-nitrofuran is a drug-like molecule.
| MolName | 2-[(Z)-(diphenylphosphinothioylhydrazinylidene)methyl]-5-nitrofuran |
| MolecularFormula | C17H14N3O3PS |
| Smiles | [O-][N+](c1ccc(/C=N\NP(c2ccccc2)(c2ccccc2)=S)o1)=O |
| InChI | InChI=1S/C17H14N3O3PS/c21-20(22)17-12-11-14(23-17)13-18-19-24(25,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-13H,(H,19,25) |
| InChIK | GXCUGRATYMFLBQ-UHFFFAOYSA-N |
| TotalMolweight | 371.356 |
| Molweight | 371.356 |
| MonoisotopicMass | 371.049349 |
| CLogP | 3.9231 |
| CLogS | -6.035 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 281.09 |
| Relative PSA | 0.35391 |
| PolarSurfaceArea | 125.25 |
| Druglikeness | -13.036 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | low |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.52 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 8 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[(Z)-(diphenylphosphinothioylhydrazinylidene)methyl]-5-nitrofuran | 2 - 2-[(Z)-(diphenylphosphinothioylhydrazinylidene)methyl]-5-nitrofuran
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