N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
Formula:C16H10N6Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine is not a drug-like molecule.
| MolName | N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine |
| MolecularFormula | C16H10N6Cl2 |
| Smiles | Clc1cc(Cl)c(/C=N\Nc2nc(cccc3)c3n3c2nnc3)cc1 |
| InChI | InChI=1S/C16H10Cl2N6/c17-11-6-5-10(12(18)7-11)8-19-22-15-16-23-20-9-24(16)14-4-2-1-3-13(14)21-15/h1-9H,(H,21,22) |
| InChIK | RTIFXBPMEIOQHT-UHFFFAOYSA-N |
| TotalMolweight | 357.203 |
| Molweight | 357.203 |
| MonoisotopicMass | 356.034398 |
| CLogP | 5.395 |
| CLogS | -7.163 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 256.21 |
| Relative PSA | 0.24913 |
| PolarSurfaceArea | 67.47 |
| Druglikeness | 3.7988 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 19 |
| Aromatic Nitrogens | 4 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine | 2 - N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off