N-hydroxy-N'-(4-thiophen-2-ylpyrimidin-2-yl)methanimidamide
Formula:C9H8N4OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-hydroxy-N'-(4-thiophen-2-ylpyrimidin-2-yl)methanimidamide is a drug-like molecule.
| MolName | N-hydroxy-N'-(4-thiophen-2-ylpyrimidin-2-yl)methanimidamide |
| MolecularFormula | C9H8N4OS |
| Smiles | ON/C=N\c1nccc(-c2cccs2)n1 |
| InChI | InChI=1S/C9H8N4OS/c14-12-6-11-9-10-4-3-7(13-9)8-2-1-5-15-8/h1-6,14H,(H,10,11,12,13) |
| InChIK | JZZSNYBBDYSJRZ-UHFFFAOYSA-N |
| TotalMolweight | 220.256 |
| Molweight | 220.256 |
| MonoisotopicMass | 220.041881 |
| CLogP | 0.8362 |
| CLogS | -3.087 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 169.05 |
| Relative PSA | 0.46359 |
| PolarSurfaceArea | 98.64 |
| Druglikeness | 2.1399 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-hydroxy-N'-(4-thiophen-2-ylpyrimidin-2-yl)methanimidamide | 2 - N-hydroxy-N'-(4-thiophen-2-ylpyrimidin-2-yl)methanimidamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off