(2E)-2-(anilinomethylidene)-3H-inden-1-one
Formula:C16H13NO
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2E)-2-(anilinomethylidene)-3H-inden-1-one is a drug-like molecule.
| MolName | (2E)-2-(anilinomethylidene)-3H-inden-1-one |
| MolecularFormula | C16H13NO |
| Smiles | O=C(/C(/C1)=C/Nc2ccccc2)c2c1cccc2 |
| InChI | InChI=1S/C16H13NO/c18-16-13(10-12-6-4-5-9-15(12)16)11-17-14-7-2-1-3-8-14/h1-9,11,17H,10H2 |
| InChIK | FEOJZLDWMUCSDS-UHFFFAOYSA-N |
| TotalMolweight | 235.285 |
| Molweight | 235.285 |
| MonoisotopicMass | 235.099714 |
| CLogP | 2.8415 |
| CLogS | -3.959 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 187.2 |
| Relative PSA | 0.13088 |
| PolarSurfaceArea | 29.1 |
| Druglikeness | 1.1894 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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