N-[(Z)-(4-chlorophenyl)methylideneamino]-2-(3,4-dichlorophenyl)quinazolin-4-amine
Formula:C21H13N4Cl3
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-chlorophenyl)methylideneamino]-2-(3,4-dichlorophenyl)quinazolin-4-amine is not a drug-like molecule.
| MolName | N-[(Z)-(4-chlorophenyl)methylideneamino]-2-(3,4-dichlorophenyl)quinazolin-4-amine |
| MolecularFormula | C21H13N4Cl3 |
| Smiles | Clc1ccc(/C=N\Nc2nc(-c(cc3)cc(Cl)c3Cl)nc3ccccc23)cc1 |
| InChI | InChI=1S/C21H13Cl3N4/c22-15-8-5-13(6-9-15)12-25-28-21-16-3-1-2-4-19(16)26-20(27-21)14-7-10-17(23)18(24)11-14/h1-12H,(H,26,27,28) |
| InChIK | ZMSRPNHJHAIKNC-UHFFFAOYSA-N |
| TotalMolweight | 427.721 |
| Molweight | 427.721 |
| MonoisotopicMass | 426.020577 |
| CLogP | 8.407 |
| CLogS | -8.524 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 307.38 |
| Relative PSA | 0.14611 |
| PolarSurfaceArea | 50.17 |
| Druglikeness | 2.3845 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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