(3E)-3-(2-oxocyclohexylidene)-1H-indol-2-one
Formula:C14H13NO2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3E)-3-(2-oxocyclohexylidene)-1H-indol-2-one is a drug-like molecule.
| MolName | (3E)-3-(2-oxocyclohexylidene)-1H-indol-2-one |
| MolecularFormula | C14H13NO2 |
| Smiles | O=C1Nc(cccc2)c2/C1=C(/CCCC1)\C1=O |
| InChI | InChI=1S/C14H13NO2/c16-12-8-4-2-6-10(12)13-9-5-1-3-7-11(9)15-14(13)17/h1,3,5,7H,2,4,6,8H2,(H,15,17) |
| InChIK | JDITXCAQYYUTET-UHFFFAOYSA-N |
| TotalMolweight | 227.262 |
| Molweight | 227.262 |
| MonoisotopicMass | 227.094629 |
| CLogP | 1.4899 |
| CLogS | -2.813 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 171.18 |
| Relative PSA | 0.2193 |
| PolarSurfaceArea | 46.17 |
| Druglikeness | -5.2899 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.52941 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 4 |
| Amides | 1 |
| StereoCon |
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