N-[(Z)-(3,4-dichlorophenyl)methylideneamino]quinazolin-4-amine
Formula:C15H10N4Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3,4-dichlorophenyl)methylideneamino]quinazolin-4-amine is not a drug-like molecule.
| MolName | N-[(Z)-(3,4-dichlorophenyl)methylideneamino]quinazolin-4-amine |
| MolecularFormula | C15H10N4Cl2 |
| Smiles | Clc(ccc(/C=N\Nc1ncnc2ccccc12)c1)c1Cl |
| InChI | InChI=1S/C15H10Cl2N4/c16-12-6-5-10(7-13(12)17)8-20-21-15-11-3-1-2-4-14(11)18-9-19-15/h1-9H,(H,18,19,21) |
| InChIK | QBSKJAJKLCDFAG-UHFFFAOYSA-N |
| TotalMolweight | 317.178 |
| Molweight | 317.178 |
| MonoisotopicMass | 316.02825 |
| CLogP | 6.158 |
| CLogS | -5.643 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 232.2 |
| Relative PSA | 0.19341 |
| PolarSurfaceArea | 50.17 |
| Druglikeness | 2.3845 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.61905 |
| 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 - N-[(Z)-(3,4-dichlorophenyl)methylideneamino]quinazolin-4-amine | 2 - N-[(Z)-(3,4-dichlorophenyl)methylideneamino]quinazolin-4-amine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off