(E)-(1,3-dioxoisoindol-2-yl)imino-oxido-phenylazanium
Formula:C14H9N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-(1,3-dioxoisoindol-2-yl)imino-oxido-phenylazanium is a drug-like molecule.
| MolName | (E)-(1,3-dioxoisoindol-2-yl)imino-oxido-phenylazanium |
| MolecularFormula | C14H9N3O3 |
| Smiles | [O-]/[N+](/c1ccccc1)=N/N(C(c1c2cccc1)=O)C2=O |
| InChI | InChI=1S/C14H9N3O3/c18-13-11-8-4-5-9-12(11)14(19)16(13)15-17(20)10-6-2-1-3-7-10/h1-9H |
| InChIK | VCSZKWFRMNXZLS-UHFFFAOYSA-N |
| TotalMolweight | 267.243 |
| Molweight | 267.243 |
| MonoisotopicMass | 267.064392 |
| CLogP | 2.517 |
| CLogS | -3.55 |
| H Acceptors | 6 |
| TotalSurfaceArea | 194.21 |
| Relative PSA | 0.30132 |
| PolarSurfaceArea | 78.49 |
| Druglikeness | -0.97 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 1 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 7 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (E)-(1,3-dioxoisoindol-2-yl)imino-oxido-phenylazanium | 2 - (E)-(1,3-dioxoisoindol-2-yl)imino-oxido-phenylazanium
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off