6-chloro-4-phenyl-N-[(Z)-quinoxalin-5-ylmethylideneamino]quinazolin-2-amine
Formula:C23H15N6Cl
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
6-chloro-4-phenyl-N-[(Z)-quinoxalin-5-ylmethylideneamino]quinazolin-2-amine is not a drug-like molecule.
| MolName | 6-chloro-4-phenyl-N-[(Z)-quinoxalin-5-ylmethylideneamino]quinazolin-2-amine |
| MolecularFormula | C23H15N6Cl |
| Smiles | Clc1cc2c(-c3ccccc3)nc(N/N=C\c3cccc4nccnc34)nc2cc1 |
| InChI | InChI=1S/C23H15ClN6/c24-17-9-10-19-18(13-17)21(15-5-2-1-3-6-15)29-23(28-19)30-27-14-16-7-4-8-20-22(16)26-12-11-25-20/h1-14H,(H,28,29,30) |
| InChIK | DFRSUNDXGTWJQB-UHFFFAOYSA-N |
| TotalMolweight | 410.867 |
| Molweight | 410.867 |
| MonoisotopicMass | 410.104671 |
| CLogP | 6.7579 |
| CLogS | -6.237 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 308.66 |
| Relative PSA | 0.21658 |
| PolarSurfaceArea | 75.95 |
| Druglikeness | 2.3845 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 26 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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