(2Z)-6-chloro-2-(pyridin-4-ylmethylidene)-3H-inden-1-one
Formula:C15H10NOCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2Z)-6-chloro-2-(pyridin-4-ylmethylidene)-3H-inden-1-one is a drug-like molecule.
| MolName | (2Z)-6-chloro-2-(pyridin-4-ylmethylidene)-3H-inden-1-one |
| MolecularFormula | C15H10NOCl |
| Smiles | O=C(/C(/C1)=C\c2ccncc2)c2c1ccc(Cl)c2 |
| InChI | InChI=1S/C15H10ClNO/c16-13-2-1-11-8-12(15(18)14(11)9-13)7-10-3-5-17-6-4-10/h1-7,9H,8H2 |
| InChIK | HFRKNIOCRDSXMO-UHFFFAOYSA-N |
| TotalMolweight | 255.703 |
| Molweight | 255.703 |
| MonoisotopicMass | 255.045091 |
| CLogP | 3.2759 |
| CLogS | -3.954 |
| H Acceptors | 2 |
| TotalSurfaceArea | 189.92 |
| Relative PSA | 0.12642 |
| PolarSurfaceArea | 29.96 |
| Druglikeness | 1.039 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 1 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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