2-[(E)-3,4-dihydro-2H-naphthalen-1-ylidenemethyl]pyridine
Formula:C16H15N
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
2-[(E)-3,4-dihydro-2H-naphthalen-1-ylidenemethyl]pyridine is a drug-like molecule.
| MolName | 2-[(E)-3,4-dihydro-2H-naphthalen-1-ylidenemethyl]pyridine |
| MolecularFormula | C16H15N |
| Smiles | C(C1)Cc(cccc2)c2/C1=C/c1ncccc1 |
| InChI | InChI=1S/C16H15N/c1-2-10-16-13(6-1)7-5-8-14(16)12-15-9-3-4-11-17-15/h1-4,6,9-12H,5,7-8H2 |
| InChIK | PXANXGGKWGSRHB-UHFFFAOYSA-N |
| TotalMolweight | 221.302 |
| Molweight | 221.302 |
| MonoisotopicMass | 221.120449 |
| CLogP | 3.3663 |
| CLogS | -3.299 |
| H Acceptors | 1 |
| TotalSurfaceArea | 184.27 |
| Relative PSA | 0.059532 |
| PolarSurfaceArea | 12.89 |
| Druglikeness | -3.2523 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58824 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 1 |
| Electronegative Atoms | 1 |
| Rotatable Bond | 1 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 2-[(E)-3,4-dihydro-2H-naphthalen-1-ylidenemethyl]pyridine | 2 - 2-[(E)-3,4-dihydro-2H-naphthalen-1-ylidenemethyl]pyridine
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