(4E)-4-[(4-iodophenyl)hydrazinylidene]-5-methylidene-2-phenylpyrazolidin-3-one
Formula:C16H13N4OI
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4E)-4-[(4-iodophenyl)hydrazinylidene]-5-methylidene-2-phenylpyrazolidin-3-one is a drug-like molecule.
| MolName | (4E)-4-[(4-iodophenyl)hydrazinylidene]-5-methylidene-2-phenylpyrazolidin-3-one |
| MolecularFormula | C16H13N4OI |
| Smiles | C=C(/C(/C1=O)=N\Nc(cc2)ccc2I)NN1c1ccccc1 |
| InChI | InChI=1S/C16H13IN4O/c1-11-15(19-18-13-9-7-12(17)8-10-13)16(22)21(20-11)14-5-3-2-4-6-14/h2-10,18,20H,1H2 |
| InChIK | PNNRXUGQVVFTBU-UHFFFAOYSA-N |
| TotalMolweight | 404.206 |
| Molweight | 404.206 |
| MonoisotopicMass | 404.013409 |
| CLogP | 3.6192 |
| CLogS | -4.038 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 242.49 |
| Relative PSA | 0.2104 |
| PolarSurfaceArea | 56.73 |
| Druglikeness | 2.0925 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| StereoCon |
Click to Load Molecule:
1 - (4E)-4-[(4-iodophenyl)hydrazinylidene]-5-methylidene-2-phenylpyrazolidin-3-one | 2 - (4E)-4-[(4-iodophenyl)hydrazinylidene]-5-methylidene-2-phenylpyrazolidin-3-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off