(2E)-2-(naphthalen-1-ylmethylidene)-1H-indol-3-one
Formula:C19H13NO
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(2E)-2-(naphthalen-1-ylmethylidene)-1H-indol-3-one is a drug-like molecule.
| MolName | (2E)-2-(naphthalen-1-ylmethylidene)-1H-indol-3-one |
| MolecularFormula | C19H13NO |
| Smiles | O=C1c(cccc2)c2N/C1=C/c1cccc2ccccc12 |
| InChI | InChI=1S/C19H13NO/c21-19-16-10-3-4-11-17(16)20-18(19)12-14-8-5-7-13-6-1-2-9-15(13)14/h1-12,20H |
| InChIK | DFPBTTBLIPHLFE-UHFFFAOYSA-N |
| TotalMolweight | 271.318 |
| Molweight | 271.318 |
| MonoisotopicMass | 271.099714 |
| CLogP | 3.9627 |
| CLogS | -5.79 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 208.04 |
| Relative PSA | 0.11777 |
| PolarSurfaceArea | 29.1 |
| Druglikeness | 1.4086 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52381 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 1 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| StereoCon |
Click to Load Molecule:
1 - (2E)-2-(naphthalen-1-ylmethylidene)-1H-indol-3-one | 2 - (2E)-2-(naphthalen-1-ylmethylidene)-1H-indol-3-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off