2-(2,4-dichlorophenyl)-5-[(Z)-(diphenoxyphosphinothioylhydrazinylidene)methyl]furan
Formula:C23H17N2O3Cl2PS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
2-(2,4-dichlorophenyl)-5-[(Z)-(diphenoxyphosphinothioylhydrazinylidene)methyl]furan is not a drug-like molecule.
| MolName | 2-(2,4-dichlorophenyl)-5-[(Z)-(diphenoxyphosphinothioylhydrazinylidene)methyl]furan |
| MolecularFormula | C23H17N2O3Cl2PS |
| Smiles | S=P(N/N=C\c1ccc(-c(ccc(Cl)c2)c2Cl)o1)(Oc1ccccc1)Oc1ccccc1 |
| InChI | InChI=1S/C23H17Cl2N2O3PS/c24-17-11-13-21(22(25)15-17)23-14-12-20(28-23)16-26-27-31(32,29-18-7-3-1-4-8-18)30-19-9-5-2-6-10-19/h1-16H,(H,27,32) |
| InChIK | JLJIYFGCFQRAPC-UHFFFAOYSA-N |
| TotalMolweight | 503.345 |
| Molweight | 503.345 |
| MonoisotopicMass | 502.007454 |
| CLogP | 7.9545 |
| CLogS | -8.842 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 368.02 |
| Relative PSA | 0.242 |
| PolarSurfaceArea | 97.89 |
| Druglikeness | -5.4251 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.53125 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 4 |
| Symmetricatoms | 9 |
| StereoCon |
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1 - 2-(2,4-dichlorophenyl)-5-[(Z)-(diphenoxyphosphinothioylhydrazinylidene)methyl]furan | 2 - 2-(2,4-dichlorophenyl)-5-[(Z)-(diphenoxyphosphinothioylhydrazinylidene)methyl]furan
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