(3E)-3-pyridin-2-ylimino-1H-indol-2-one
Formula:C13H9N3O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3E)-3-pyridin-2-ylimino-1H-indol-2-one is a drug-like molecule.
| MolName | (3E)-3-pyridin-2-ylimino-1H-indol-2-one |
| MolecularFormula | C13H9N3O |
| Smiles | O=C1Nc(cccc2)c2/C1=N\c1ncccc1 |
| InChI | InChI=1S/C13H9N3O/c17-13-12(16-11-7-3-4-8-14-11)9-5-1-2-6-10(9)15-13/h1-8H,(H,14,15,16,17) |
| InChIK | JUWBUBSLHSLHPZ-UHFFFAOYSA-N |
| TotalMolweight | 223.234 |
| Molweight | 223.234 |
| MonoisotopicMass | 223.074562 |
| CLogP | 1.0091 |
| CLogS | -3.136 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 170.46 |
| Relative PSA | 0.27561 |
| PolarSurfaceArea | 54.35 |
| Druglikeness | 3.0634 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58824 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 1 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (3E)-3-pyridin-2-ylimino-1H-indol-2-one | 2 - (3E)-3-pyridin-2-ylimino-1H-indol-2-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off