4-chloro-N-[(Z)-(2-chloroquinolin-3-yl)methylideneamino]aniline
Formula:C16H11N3Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
4-chloro-N-[(Z)-(2-chloroquinolin-3-yl)methylideneamino]aniline is not a drug-like molecule.
| MolName | 4-chloro-N-[(Z)-(2-chloroquinolin-3-yl)methylideneamino]aniline |
| MolecularFormula | C16H11N3Cl2 |
| Smiles | Clc(cc1)ccc1N/N=C\c1cc2ccccc2nc1Cl |
| InChI | InChI=1S/C16H11Cl2N3/c17-13-5-7-14(8-6-13)21-19-10-12-9-11-3-1-2-4-15(11)20-16(12)18/h1-10,21H |
| InChIK | FROIPBFNKXPPFA-UHFFFAOYSA-N |
| TotalMolweight | 316.19 |
| Molweight | 316.19 |
| MonoisotopicMass | 315.033001 |
| CLogP | 6.4663 |
| CLogS | -5.09 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 233.44 |
| Relative PSA | 0.14539 |
| PolarSurfaceArea | 37.28 |
| Druglikeness | 2.3845 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 4-chloro-N-[(Z)-(2-chloroquinolin-3-yl)methylideneamino]aniline | 2 - 4-chloro-N-[(Z)-(2-chloroquinolin-3-yl)methylideneamino]aniline
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off