(2E,6E)-2,6-bis(pyridin-2-ylmethylidene)cyclohexan-1-ol
Formula:C18H18N2O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2E,6E)-2,6-bis(pyridin-2-ylmethylidene)cyclohexan-1-ol is a drug-like molecule.
| MolName | (2E,6E)-2,6-bis(pyridin-2-ylmethylidene)cyclohexan-1-ol |
| MolecularFormula | C18H18N2O |
| Smiles | OC(/C(/CCC1)=C/c2ncccc2)/C1=C/c1ncccc1 |
| InChI | InChI=1S/C18H18N2O/c21-18-14(12-16-8-1-3-10-19-16)6-5-7-15(18)13-17-9-2-4-11-20-17/h1-4,8-13,18,21H,5-7H2 |
| InChIK | RSOURECUYSJNEL-UHFFFAOYSA-N |
| TotalMolweight | 278.354 |
| Molweight | 278.354 |
| MonoisotopicMass | 278.141913 |
| CLogP | 2.8005 |
| CLogS | -2.997 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 226.59 |
| Relative PSA | 0.15464 |
| PolarSurfaceArea | 46.01 |
| Druglikeness | -2.585 |
| 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 | 5 |
| Symmetricatoms | 9 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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