N-[(Z)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]quinolin-2-amine
Formula:C20H14N3OClS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]quinolin-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]quinolin-2-amine |
| MolecularFormula | C20H14N3OClS |
| Smiles | Clc(cc1)ccc1Sc1ccc(/C=N\Nc2nc3ccccc3cc2)o1 |
| InChI | InChI=1S/C20H14ClN3OS/c21-15-6-9-17(10-7-15)26-20-12-8-16(25-20)13-22-24-19-11-5-14-3-1-2-4-18(14)23-19/h1-13H,(H,23,24) |
| InChIK | RBSKSLBQAOAAMO-UHFFFAOYSA-N |
| TotalMolweight | 379.87 |
| Molweight | 379.87 |
| MonoisotopicMass | 379.054609 |
| CLogP | 7.2215 |
| CLogS | -6.347 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 284.96 |
| Relative PSA | 0.23 |
| PolarSurfaceArea | 75.72 |
| Druglikeness | 4.6457 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.69231 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]quinolin-2-amine | 2 - N-[(Z)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]quinolin-2-amine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off