(2E)-2-(1H-pyrrol-2-ylmethylidene)-3H-inden-1-one
Formula:C14H11NO
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2E)-2-(1H-pyrrol-2-ylmethylidene)-3H-inden-1-one is a drug-like molecule.
| MolName | (2E)-2-(1H-pyrrol-2-ylmethylidene)-3H-inden-1-one |
| MolecularFormula | C14H11NO |
| Smiles | O=C(/C(/C1)=C/c2ccc[nH]2)c2c1cccc2 |
| InChI | InChI=1S/C14H11NO/c16-14-11(9-12-5-3-7-15-12)8-10-4-1-2-6-13(10)14/h1-7,9,15H,8H2 |
| InChIK | YQKHTAYRNHDUJE-UHFFFAOYSA-N |
| TotalMolweight | 209.247 |
| Molweight | 209.247 |
| MonoisotopicMass | 209.084064 |
| CLogP | 2.4473 |
| CLogS | -3.061 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 165.31 |
| Relative PSA | 0.16351 |
| PolarSurfaceArea | 32.86 |
| Druglikeness | 2.0319 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5625 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 1 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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