(2Z,6Z)-2,6-bis(pyridin-3-ylmethylidene)cyclohexan-1-one
Formula:C18H16N2O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2Z,6Z)-2,6-bis(pyridin-3-ylmethylidene)cyclohexan-1-one is a drug-like molecule.
| MolName | (2Z,6Z)-2,6-bis(pyridin-3-ylmethylidene)cyclohexan-1-one |
| MolecularFormula | C18H16N2O |
| Smiles | O=C(/C(/CCC1)=C\c2cnccc2)/C1=C\c1cnccc1 |
| InChI | InChI=1S/C18H16N2O/c21-18-16(10-14-4-2-8-19-12-14)6-1-7-17(18)11-15-5-3-9-20-13-15/h2-5,8-13H,1,6-7H2 |
| InChIK | LYDLODGAUHPYGN-UHFFFAOYSA-N |
| TotalMolweight | 276.338 |
| Molweight | 276.338 |
| MonoisotopicMass | 276.126263 |
| CLogP | 2.8362 |
| CLogS | -3 |
| H Acceptors | 3 |
| TotalSurfaceArea | 225.49 |
| Relative PSA | 0.15513 |
| PolarSurfaceArea | 42.85 |
| Druglikeness | -1.9668 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 9 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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