(E)-2-[(pyridin-2-ylmethylamino)methyl]-3-thiophen-2-ylprop-2-enoic acid
Formula:C14H14N2O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-[(pyridin-2-ylmethylamino)methyl]-3-thiophen-2-ylprop-2-enoic acid is a drug-like molecule.
| MolName | (E)-2-[(pyridin-2-ylmethylamino)methyl]-3-thiophen-2-ylprop-2-enoic acid |
| MolecularFormula | C14H14N2O2S |
| Smiles | OC(/C(/CNCc1ncccc1)=C/c1cccs1)=O |
| InChI | InChI=1S/C14H14N2O2S/c17-14(18)11(8-13-5-3-7-19-13)9-15-10-12-4-1-2-6-16-12/h1-8,15H,9-10H2,(H,17,18) |
| InChIK | KQFKIDTUIGMGCK-UHFFFAOYSA-N |
| TotalMolweight | 274.343 |
| Molweight | 274.343 |
| MonoisotopicMass | 274.077598 |
| CLogP | 0.054 |
| CLogS | -2.17 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 215.51 |
| Relative PSA | 0.31985 |
| PolarSurfaceArea | 90.46 |
| Druglikeness | 3.5403 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 4 |
| Amines | 1 |
| AlkylAmines | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (E)-2-[(pyridin-2-ylmethylamino)methyl]-3-thiophen-2-ylprop-2-enoic acid | 2 - (E)-2-[(pyridin-2-ylmethylamino)methyl]-3-thiophen-2-ylprop-2-enoic acid
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off