(2Z)-2-(pyridin-2-ylmethylidene)-3,4-dihydronaphthalen-1-one
Formula:C16H13NO
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(2Z)-2-(pyridin-2-ylmethylidene)-3,4-dihydronaphthalen-1-one is a drug-like molecule.
| MolName | (2Z)-2-(pyridin-2-ylmethylidene)-3,4-dihydronaphthalen-1-one |
| MolecularFormula | C16H13NO |
| Smiles | O=C(/C(/CC1)=C\c2ncccc2)c2c1cccc2 |
| InChI | InChI=1S/C16H13NO/c18-16-13(11-14-6-3-4-10-17-14)9-8-12-5-1-2-7-15(12)16/h1-7,10-11H,8-9H2 |
| InChIK | ZXFHIHFMBOWHPB-UHFFFAOYSA-N |
| TotalMolweight | 235.285 |
| Molweight | 235.285 |
| MonoisotopicMass | 235.099714 |
| CLogP | 3.0659 |
| CLogS | -3.512 |
| H Acceptors | 2 |
| TotalSurfaceArea | 188.26 |
| Relative PSA | 0.12754 |
| PolarSurfaceArea | 29.96 |
| Druglikeness | -0.086834 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 1 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (2Z)-2-(pyridin-2-ylmethylidene)-3,4-dihydronaphthalen-1-one | 2 - (2Z)-2-(pyridin-2-ylmethylidene)-3,4-dihydronaphthalen-1-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off