2-chloro-N-[(Z)-(2-fluorophenyl)methylideneamino]quinazolin-4-amine
Formula:C15H10N4ClF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-chloro-N-[(Z)-(2-fluorophenyl)methylideneamino]quinazolin-4-amine is not a drug-like molecule.
| MolName | 2-chloro-N-[(Z)-(2-fluorophenyl)methylideneamino]quinazolin-4-amine |
| MolecularFormula | C15H10N4ClF |
| Smiles | Fc1c(/C=N\Nc2nc(Cl)nc3ccccc23)cccc1 |
| InChI | InChI=1S/C15H10ClFN4/c16-15-19-13-8-4-2-6-11(13)14(20-15)21-18-9-10-5-1-3-7-12(10)17/h1-9H,(H,19,20,21) |
| InChIK | MEDLOMPEMQDACN-UHFFFAOYSA-N |
| TotalMolweight | 300.723 |
| Molweight | 300.723 |
| MonoisotopicMass | 300.057801 |
| CLogP | 5.8949 |
| CLogS | -4.99 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 223.13 |
| Relative PSA | 0.20127 |
| PolarSurfaceArea | 50.17 |
| Druglikeness | 1.0445 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Aromatic Nitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - 2-chloro-N-[(Z)-(2-fluorophenyl)methylideneamino]quinazolin-4-amine | 2 - 2-chloro-N-[(Z)-(2-fluorophenyl)methylideneamino]quinazolin-4-amine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off