2-[(Z)-(diphenoxyphosphinothioylhydrazinylidene)methyl]-5-(3-nitrophenyl)furan
Formula:C23H18N3O5PS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
2-[(Z)-(diphenoxyphosphinothioylhydrazinylidene)methyl]-5-(3-nitrophenyl)furan is not a drug-like molecule.
| MolName | 2-[(Z)-(diphenoxyphosphinothioylhydrazinylidene)methyl]-5-(3-nitrophenyl)furan |
| MolecularFormula | C23H18N3O5PS |
| Smiles | [O-][N+](c1cccc(-c2ccc(/C=N\NP(Oc3ccccc3)(Oc3ccccc3)=S)o2)c1)=O |
| InChI | InChI=1S/C23H18N3O5PS/c27-26(28)19-9-7-8-18(16-19)23-15-14-22(29-23)17-24-25-32(33,30-20-10-3-1-4-11-20)31-21-12-5-2-6-13-21/h1-17H,(H,25,33) |
| InChIK | UTVVDLWXPBYHDR-UHFFFAOYSA-N |
| TotalMolweight | 479.452 |
| Molweight | 479.452 |
| MonoisotopicMass | 479.070479 |
| CLogP | 5.8209 |
| CLogS | -7.83 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 360.85 |
| Relative PSA | 0.33111 |
| PolarSurfaceArea | 143.71 |
| Druglikeness | -10.6 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.51515 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 5 |
| Symmetricatoms | 9 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-[(Z)-(diphenoxyphosphinothioylhydrazinylidene)methyl]-5-(3-nitrophenyl)furan | 2 - 2-[(Z)-(diphenoxyphosphinothioylhydrazinylidene)methyl]-5-(3-nitrophenyl)furan
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off