6-bromo-N-[(Z)-(5-chlorofuran-2-yl)methylideneamino]-4-phenylquinazolin-2-amine
Formula:C19H12N4OBrCl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
6-bromo-N-[(Z)-(5-chlorofuran-2-yl)methylideneamino]-4-phenylquinazolin-2-amine is not a drug-like molecule.
| MolName | 6-bromo-N-[(Z)-(5-chlorofuran-2-yl)methylideneamino]-4-phenylquinazolin-2-amine |
| MolecularFormula | C19H12N4OBrCl |
| Smiles | Clc1ccc(/C=N\Nc2nc(-c3ccccc3)c(cc(cc3)Br)c3n2)o1 |
| InChI | InChI=1S/C19H12BrClN4O/c20-13-6-8-16-15(10-13)18(12-4-2-1-3-5-12)24-19(23-16)25-22-11-14-7-9-17(21)26-14/h1-11H,(H,23,24,25) |
| InChIK | XBYSJHGVQIWNPZ-UHFFFAOYSA-N |
| TotalMolweight | 427.688 |
| Molweight | 427.688 |
| MonoisotopicMass | 425.988299 |
| CLogP | 7.3316 |
| CLogS | -6.71 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 284.86 |
| Relative PSA | 0.20719 |
| PolarSurfaceArea | 63.31 |
| Druglikeness | 0.24716 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - 6-bromo-N-[(Z)-(5-chlorofuran-2-yl)methylideneamino]-4-phenylquinazolin-2-amine | 2 - 6-bromo-N-[(Z)-(5-chlorofuran-2-yl)methylideneamino]-4-phenylquinazolin-2-amine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off