(3Z)-3-(2-phenoxyethylidene)-1H-indol-2-one
Formula:C16H13NO2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3Z)-3-(2-phenoxyethylidene)-1H-indol-2-one is a drug-like molecule.
| MolName | (3Z)-3-(2-phenoxyethylidene)-1H-indol-2-one |
| MolecularFormula | C16H13NO2 |
| Smiles | O=C1Nc(cccc2)c2/C1=C/COc1ccccc1 |
| InChI | InChI=1S/C16H13NO2/c18-16-14(13-8-4-5-9-15(13)17-16)10-11-19-12-6-2-1-3-7-12/h1-10H,11H2,(H,17,18) |
| InChIK | NYWYLSDTESBUPB-UHFFFAOYSA-N |
| TotalMolweight | 251.284 |
| Molweight | 251.284 |
| MonoisotopicMass | 251.094629 |
| CLogP | 2.168 |
| CLogS | -3.091 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 197.2 |
| Relative PSA | 0.17495 |
| PolarSurfaceArea | 38.33 |
| Druglikeness | 2.4237 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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