(3E)-3-(phenylhydrazinylidene)naphthalene-1,2,4-trione
Formula:C16H10N2O3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(3E)-3-(phenylhydrazinylidene)naphthalene-1,2,4-trione is a drug-like molecule.
| MolName | (3E)-3-(phenylhydrazinylidene)naphthalene-1,2,4-trione |
| MolecularFormula | C16H10N2O3 |
| Smiles | O=C(c(cccc1)c1C(C1=O)=O)/C1=N\Nc1ccccc1 |
| InChI | InChI=1S/C16H10N2O3/c19-14-11-8-4-5-9-12(11)15(20)16(21)13(14)18-17-10-6-2-1-3-7-10/h1-9,17H |
| InChIK | QUAWWICLWQTOJU-UHFFFAOYSA-N |
| TotalMolweight | 278.266 |
| Molweight | 278.266 |
| MonoisotopicMass | 278.069143 |
| CLogP | 3.546 |
| CLogS | -3.583 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 207.2 |
| Relative PSA | 0.29966 |
| PolarSurfaceArea | 75.6 |
| Druglikeness | -1.629 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 2 |
| StereoCon |
Click to Load Molecule:
1 - (3E)-3-(phenylhydrazinylidene)naphthalene-1,2,4-trione | 2 - (3E)-3-(phenylhydrazinylidene)naphthalene-1,2,4-trione
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off