(Z)-2-naphthalen-1-yl-3-pyridin-4-ylprop-2-enoic acid
Formula:C18H13NO2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(Z)-2-naphthalen-1-yl-3-pyridin-4-ylprop-2-enoic acid is a drug-like molecule.
| MolName | (Z)-2-naphthalen-1-yl-3-pyridin-4-ylprop-2-enoic acid |
| MolecularFormula | C18H13NO2 |
| Smiles | OC(/C(/c1cccc2ccccc12)=C\c1ccncc1)=O |
| InChI | InChI=1S/C18H13NO2/c20-18(21)17(12-13-8-10-19-11-9-13)16-7-3-5-14-4-1-2-6-15(14)16/h1-12H,(H,20,21) |
| InChIK | ZKEHLZUJSOVCAW-UHFFFAOYSA-N |
| TotalMolweight | 275.306 |
| Molweight | 275.306 |
| MonoisotopicMass | 275.094629 |
| CLogP | 3.0042 |
| CLogS | -3.767 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 215.19 |
| Relative PSA | 0.17245 |
| PolarSurfaceArea | 50.19 |
| Druglikeness | 0.45612 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52381 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (Z)-2-naphthalen-1-yl-3-pyridin-4-ylprop-2-enoic acid | 2 - (Z)-2-naphthalen-1-yl-3-pyridin-4-ylprop-2-enoic acid
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off