3-chloro-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]quinoxalin-2-amine
Formula:C17H13N4Cl
Mutagenic:low
Tumorigenic:none
Reproductive Effective:none
3-chloro-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]quinoxalin-2-amine is not a drug-like molecule.
| MolName | 3-chloro-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]quinoxalin-2-amine |
| MolecularFormula | C17H13N4Cl |
| Smiles | Clc1nc2ccccc2nc1N/N=C\C=C\c1ccccc1 |
| InChI | InChI=1S/C17H13ClN4/c18-16-17(21-15-11-5-4-10-14(15)20-16)22-19-12-6-9-13-7-2-1-3-8-13/h1-12H,(H,21,22) |
| InChIK | YSVWKWHIPLSGAC-UHFFFAOYSA-N |
| TotalMolweight | 308.771 |
| Molweight | 308.771 |
| MonoisotopicMass | 308.082873 |
| CLogP | 5.3516 |
| CLogS | -4.271 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 243.28 |
| Relative PSA | 0.1846 |
| PolarSurfaceArea | 50.17 |
| Druglikeness | 2.3011 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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