(3E)-3-(furan-2-ylmethylidene)-1H-indol-2-one
Formula:C13H9NO2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(3E)-3-(furan-2-ylmethylidene)-1H-indol-2-one is a drug-like molecule.
| MolName | (3E)-3-(furan-2-ylmethylidene)-1H-indol-2-one |
| MolecularFormula | C13H9NO2 |
| Smiles | O=C1Nc(cccc2)c2/C1=C\c1ccco1 |
| InChI | InChI=1S/C13H9NO2/c15-13-11(8-9-4-3-7-16-9)10-5-1-2-6-12(10)14-13/h1-8H,(H,14,15) |
| InChIK | PGZGBDVILWVGSF-UHFFFAOYSA-N |
| TotalMolweight | 211.219 |
| Molweight | 211.219 |
| MonoisotopicMass | 211.063329 |
| CLogP | 1.4544 |
| CLogS | -3.051 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 163.13 |
| Relative PSA | 0.23668 |
| PolarSurfaceArea | 42.24 |
| Druglikeness | 2.3489 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5625 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 1 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Amides | 1 |
| StereoCon |
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