3-[(Z)-(diphenylphosphinothioylhydrazinylidene)methyl]phenol
Formula:C19H17N2OPS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
3-[(Z)-(diphenylphosphinothioylhydrazinylidene)methyl]phenol is a drug-like molecule.
| MolName | 3-[(Z)-(diphenylphosphinothioylhydrazinylidene)methyl]phenol |
| MolecularFormula | C19H17N2OPS |
| Smiles | Oc1cccc(/C=N\NP(c2ccccc2)(c2ccccc2)=S)c1 |
| InChI | InChI=1S/C19H17N2OPS/c22-17-9-7-8-16(14-17)15-20-21-23(24,18-10-3-1-4-11-18)19-12-5-2-6-13-19/h1-15,22H,(H,21,24) |
| InChIK | PKYOUOOBZODGNR-UHFFFAOYSA-N |
| TotalMolweight | 352.397 |
| Molweight | 352.397 |
| MonoisotopicMass | 352.07992 |
| CLogP | 4.9589 |
| CLogS | -5.072 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 274.08 |
| Relative PSA | 0.24829 |
| PolarSurfaceArea | 86.52 |
| Druglikeness | -12.112 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | low |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 8 |
| StereoCon |
Click to Load Molecule:
1 - 3-[(Z)-(diphenylphosphinothioylhydrazinylidene)methyl]phenol | 2 - 3-[(Z)-(diphenylphosphinothioylhydrazinylidene)methyl]phenol
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off