(E)-3-pyridin-3-ylprop-2-en-1-ol
Formula:C8H9NO
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-pyridin-3-ylprop-2-en-1-ol is a drug-like molecule.
| MolName | (E)-3-pyridin-3-ylprop-2-en-1-ol |
| MolecularFormula | C8H9NO |
| Smiles | OC/C=C/c1cnccc1 |
| InChI | InChI=1S/C8H9NO/c10-6-2-4-8-3-1-5-9-7-8/h1-5,7,10H,6H2 |
| InChIK | RSFCHWDTMRVOJD-UHFFFAOYSA-N |
| TotalMolweight | 135.165 |
| Molweight | 135.165 |
| MonoisotopicMass | 135.068414 |
| CLogP | 0.8226 |
| CLogS | -1.222 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 118.63 |
| Relative PSA | 0.2029 |
| PolarSurfaceArea | 33.12 |
| Druglikeness | -1.5008 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.8 |
| Fragments | 1 |
| Non HAtoms | 10 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (E)-3-pyridin-3-ylprop-2-en-1-ol | 2 - (E)-3-pyridin-3-ylprop-2-en-1-ol
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off