2-chloro-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]quinazolin-4-amine
Formula:C15H9N4Cl3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-chloro-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]quinazolin-4-amine is not a drug-like molecule.
| MolName | 2-chloro-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]quinazolin-4-amine |
| MolecularFormula | C15H9N4Cl3 |
| Smiles | Clc(ccc(/C=N\Nc1nc(Cl)nc2ccccc12)c1)c1Cl |
| InChI | InChI=1S/C15H9Cl3N4/c16-11-6-5-9(7-12(11)17)8-19-22-14-10-3-1-2-4-13(10)20-15(18)21-14/h1-8H,(H,20,21,22) |
| InChIK | TXLJKGMFCDBJAW-UHFFFAOYSA-N |
| TotalMolweight | 351.623 |
| Molweight | 351.623 |
| MonoisotopicMass | 349.989277 |
| CLogP | 7.0061 |
| CLogS | -6.148 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 247.62 |
| Relative PSA | 0.18137 |
| PolarSurfaceArea | 50.17 |
| Druglikeness | 2.3845 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| 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)-(3,4-dichlorophenyl)methylideneamino]quinazolin-4-amine | 2 - 2-chloro-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]quinazolin-4-amine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off