(Z)-N-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-1-thiophen-2-ylmethanimine
Formula:C14H17N4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-N-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-1-thiophen-2-ylmethanimine is a drug-like molecule.
| MolName | (Z)-N-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-1-thiophen-2-ylmethanimine |
| MolecularFormula | C14H17N4S |
| Smiles | C(CN(CC1)/N=C\c2cccs2)N1c1[nH+]cccc1 |
| InChI | InChI=1S/C14H16N4S/c1-2-6-15-14(5-1)17-7-9-18(10-8-17)16-12-13-4-3-11-19-13/h1-6,11-12H,7-10H2/p+1 |
| InChIK | OUNOGIKBUNLAQR-UHFFFAOYSA-O |
| TotalMolweight | 273.383 |
| Molweight | 273.383 |
| MonoisotopicMass | 273.117391 |
| CLogP | 0.3354 |
| CLogS | -2.918 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 203.65 |
| Relative PSA | 0.19136 |
| PolarSurfaceArea | 61.22 |
| Druglikeness | 7.5474 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.68421 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (Z)-N-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-1-thiophen-2-ylmethanimine | 2 - (Z)-N-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-1-thiophen-2-ylmethanimine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off