(4E)-5-methylidene-4-(phenylhydrazinylidene)pyrazolidin-3-one
Formula:C10H10N4O
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(4E)-5-methylidene-4-(phenylhydrazinylidene)pyrazolidin-3-one is a drug-like molecule.
| MolName | (4E)-5-methylidene-4-(phenylhydrazinylidene)pyrazolidin-3-one |
| MolecularFormula | C10H10N4O |
| Smiles | C=C(/C1=N\Nc2ccccc2)NNC1=O |
| InChI | InChI=1S/C10H10N4O/c1-7-9(10(15)14-11-7)13-12-8-5-3-2-4-6-8/h2-6,11-12H,1H2,(H,14,15) |
| InChIK | XUHFKMCJYNEJPB-UHFFFAOYSA-N |
| TotalMolweight | 202.216 |
| Molweight | 202.216 |
| MonoisotopicMass | 202.085461 |
| CLogP | 1.2141 |
| CLogS | -2.312 |
| H Acceptors | 5 |
| H Donors | 3 |
| TotalSurfaceArea | 157.61 |
| Relative PSA | 0.3739 |
| PolarSurfaceArea | 65.52 |
| Druglikeness | 1.3521 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
Click to Load Molecule:
1 - (4E)-5-methylidene-4-(phenylhydrazinylidene)pyrazolidin-3-one | 2 - (4E)-5-methylidene-4-(phenylhydrazinylidene)pyrazolidin-3-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off