1,3-dichloro-2-[(Z)-(diphenylphosphinothioylhydrazinylidene)methyl]benzene
Formula:C19H15N2Cl2PS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
1,3-dichloro-2-[(Z)-(diphenylphosphinothioylhydrazinylidene)methyl]benzene is not a drug-like molecule.
| MolName | 1,3-dichloro-2-[(Z)-(diphenylphosphinothioylhydrazinylidene)methyl]benzene |
| MolecularFormula | C19H15N2Cl2PS |
| Smiles | S=P(c1ccccc1)(c1ccccc1)N/N=C\c(c(Cl)ccc1)c1Cl |
| InChI | InChI=1S/C19H15Cl2N2PS/c20-18-12-7-13-19(21)17(18)14-22-23-24(25,15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-14H,(H,23,25) |
| InChIK | CBXBOCJFHZRLNG-UHFFFAOYSA-N |
| TotalMolweight | 405.288 |
| Molweight | 405.288 |
| MonoisotopicMass | 404.007059 |
| CLogP | 6.5166 |
| CLogS | -6.84 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 298.57 |
| Relative PSA | 0.18404 |
| PolarSurfaceArea | 66.29 |
| Druglikeness | -11.909 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | low |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.48 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 11 |
| StereoCon |
Click to Load Molecule:
1 - 1,3-dichloro-2-[(Z)-(diphenylphosphinothioylhydrazinylidene)methyl]benzene | 2 - 1,3-dichloro-2-[(Z)-(diphenylphosphinothioylhydrazinylidene)methyl]benzene
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off