[(E)-[amino(pyrazin-2-yl)methylidene]amino] 2-chloropyridine-4-carboxylate
Formula:C11H8N5O2Cl
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[(E)-[amino(pyrazin-2-yl)methylidene]amino] 2-chloropyridine-4-carboxylate is a drug-like molecule.
| MolName | [(E)-[amino(pyrazin-2-yl)methylidene]amino] 2-chloropyridine-4-carboxylate |
| MolecularFormula | C11H8N5O2Cl |
| Smiles | N/C(/c1nccnc1)=N/OC(c1cc(Cl)ncc1)=O |
| InChI | InChI=1S/C11H8ClN5O2/c12-9-5-7(1-2-16-9)11(18)19-17-10(13)8-6-14-3-4-15-8/h1-6H,(H2,13,17) |
| InChIK | CGCMQUAQAJLTLS-UHFFFAOYSA-N |
| TotalMolweight | 277.671 |
| Molweight | 277.671 |
| MonoisotopicMass | 277.036652 |
| CLogP | 0.8268 |
| CLogS | -1.674 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 203.96 |
| Relative PSA | 0.40562 |
| PolarSurfaceArea | 103.35 |
| Druglikeness | -2.6601 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 3 |
| StereoCon |
Click to Load Molecule:
1 - [(E)-[amino(pyrazin-2-yl)methylidene]amino] 2-chloropyridine-4-carboxylate | 2 - [(E)-[amino(pyrazin-2-yl)methylidene]amino] 2-chloropyridine-4-carboxylate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off