(R)-pyridin-4-yl-[(3E)-3-(pyridin-4-ylmethylidene)inden-1-yl]methanol
Formula:C21H16N2O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(R)-pyridin-4-yl-[(3E)-3-(pyridin-4-ylmethylidene)inden-1-yl]methanol is a drug-like molecule.
| MolName | (R)-pyridin-4-yl-[(3E)-3-(pyridin-4-ylmethylidene)inden-1-yl]methanol |
| MolecularFormula | C21H16N2O |
| Smiles | O[C@@H](C(c1c2cccc1)=C/C2=C\c1ccncc1)c1ccncc1 |
| InChI | InChI=1S/C21H16N2O/c24-21(16-7-11-23-12-8-16)20-14-17(13-15-5-9-22-10-6-15)18-3-1-2-4-19(18)20/h1-14,21,24H/t21-/m1/s1 |
| InChIK | JTMFJLXJCCVSIM-OAQYLSRUSA-N |
| TotalMolweight | 312.371 |
| Molweight | 312.371 |
| MonoisotopicMass | 312.126263 |
| CLogP | 2.2556 |
| CLogS | -2.661 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 245.07 |
| Relative PSA | 0.14298 |
| PolarSurfaceArea | 46.01 |
| Druglikeness | 0.13091 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon | this enantiomer |
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