(3E)-3-(naphthalen-1-ylmethylidene)-1H-indol-2-one
Formula:C19H13NO
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
(3E)-3-(naphthalen-1-ylmethylidene)-1H-indol-2-one is a drug-like molecule.
| MolName | (3E)-3-(naphthalen-1-ylmethylidene)-1H-indol-2-one |
| MolecularFormula | C19H13NO |
| Smiles | O=C1Nc(cccc2)c2/C1=C\c1cccc2ccccc12 |
| InChI | InChI=1S/C19H13NO/c21-19-17(16-10-3-4-11-18(16)20-19)12-14-8-5-7-13-6-1-2-9-15(13)14/h1-12H,(H,20,21) |
| InChIK | NBUVXZLQSFVQLE-UHFFFAOYSA-N |
| TotalMolweight | 271.318 |
| Molweight | 271.318 |
| MonoisotopicMass | 271.099714 |
| CLogP | 3.4601 |
| CLogS | -4.975 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 208.04 |
| Relative PSA | 0.11777 |
| PolarSurfaceArea | 29.1 |
| Druglikeness | 2.702 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| 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 |
| Amides | 1 |
| StereoCon |
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