N-[(Z)-pyridin-2-ylmethylideneamino]-2-(trichloromethyl)quinazolin-4-amine
Formula:C15H10N5Cl3
Mutagenic:high
Tumorigenic:low
Reproductive Effective:high
N-[(Z)-pyridin-2-ylmethylideneamino]-2-(trichloromethyl)quinazolin-4-amine is not a drug-like molecule.
| MolName | N-[(Z)-pyridin-2-ylmethylideneamino]-2-(trichloromethyl)quinazolin-4-amine |
| MolecularFormula | C15H10N5Cl3 |
| Smiles | ClC(c1nc2ccccc2c(N/N=C\c2ncccc2)n1)(Cl)Cl |
| InChI | InChI=1S/C15H10Cl3N5/c16-15(17,18)14-21-12-7-2-1-6-11(12)13(22-14)23-20-9-10-5-3-4-8-19-10/h1-9H,(H,21,22,23) |
| InChIK | XBPQLNOOVKBUPA-UHFFFAOYSA-N |
| TotalMolweight | 366.638 |
| Molweight | 366.638 |
| MonoisotopicMass | 365.000176 |
| CLogP | 5.585 |
| CLogS | -5.443 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 256.79 |
| Relative PSA | 0.21761 |
| PolarSurfaceArea | 63.06 |
| Druglikeness | 1.6753 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.52174 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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