N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-thiophen-2-ylquinoline-4-carboxamide
Formula:C21H13N3OCl2S
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-thiophen-2-ylquinoline-4-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-thiophen-2-ylquinoline-4-carboxamide |
| MolecularFormula | C21H13N3OCl2S |
| Smiles | O=C(c1cc(-c2cccs2)nc2ccccc12)N/N=C\c(c(Cl)ccc1)c1Cl |
| InChI | InChI=1S/C21H13Cl2N3OS/c22-16-6-3-7-17(23)15(16)12-24-26-21(27)14-11-19(20-9-4-10-28-20)25-18-8-2-1-5-13(14)18/h1-12H,(H,26,27) |
| InChIK | VAJIKMXGOGTAAF-UHFFFAOYSA-N |
| TotalMolweight | 426.326 |
| Molweight | 426.326 |
| MonoisotopicMass | 425.015636 |
| CLogP | 6.5033 |
| CLogS | -7.598 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 306.89 |
| Relative PSA | 0.21943 |
| PolarSurfaceArea | 82.59 |
| Druglikeness | 6.003 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Symmetricatoms | 3 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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