3-chloro-N-[(Z)-furan-2-ylmethylideneamino]quinoxalin-2-amine
Formula:C13H9N4OCl
Mutagenic:low
Tumorigenic:none
Reproductive Effective:none
3-chloro-N-[(Z)-furan-2-ylmethylideneamino]quinoxalin-2-amine is a drug-like molecule.
| MolName | 3-chloro-N-[(Z)-furan-2-ylmethylideneamino]quinoxalin-2-amine |
| MolecularFormula | C13H9N4OCl |
| Smiles | Clc1nc2ccccc2nc1N/N=C\c1ccco1 |
| InChI | InChI=1S/C13H9ClN4O/c14-12-13(18-15-8-9-4-3-7-19-9)17-11-6-2-1-5-10(11)16-12/h1-8H,(H,17,18) |
| InChIK | YFSWNZJWVBZKAN-UHFFFAOYSA-N |
| TotalMolweight | 272.694 |
| Molweight | 272.694 |
| MonoisotopicMass | 272.046488 |
| CLogP | 4.522 |
| CLogS | -3.661 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 206.47 |
| Relative PSA | 0.28585 |
| PolarSurfaceArea | 63.31 |
| Druglikeness | 1.9025 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Aromatic Nitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - 3-chloro-N-[(Z)-furan-2-ylmethylideneamino]quinoxalin-2-amine | 2 - 3-chloro-N-[(Z)-furan-2-ylmethylideneamino]quinoxalin-2-amine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off