[(E)-[amino-(3-chloropyrazin-2-yl)methylidene]amino] benzoate
Formula:C12H9N4O2Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(E)-[amino-(3-chloropyrazin-2-yl)methylidene]amino] benzoate is a drug-like molecule.
| MolName | [(E)-[amino-(3-chloropyrazin-2-yl)methylidene]amino] benzoate |
| MolecularFormula | C12H9N4O2Cl |
| Smiles | N/C(/c1nccnc1Cl)=N/OC(c1ccccc1)=O |
| InChI | InChI=1S/C12H9ClN4O2/c13-10-9(15-6-7-16-10)11(14)17-19-12(18)8-4-2-1-3-5-8/h1-7H,(H2,14,17) |
| InChIK | FPLAAELYYXOTFZ-UHFFFAOYSA-N |
| TotalMolweight | 276.682 |
| Molweight | 276.682 |
| MonoisotopicMass | 276.041403 |
| CLogP | 1.8277 |
| CLogS | -2.469 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 205.2 |
| Relative PSA | 0.34971 |
| PolarSurfaceArea | 90.46 |
| Druglikeness | -2.6601 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - [(E)-[amino-(3-chloropyrazin-2-yl)methylidene]amino] benzoate | 2 - [(E)-[amino-(3-chloropyrazin-2-yl)methylidene]amino] benzoate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off