2-(3-chlorophenoxy)-N-[(E)-(2-chloroquinolin-3-yl)methylideneamino]acetamide
Formula:C18H13N3O2Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(3-chlorophenoxy)-N-[(E)-(2-chloroquinolin-3-yl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(3-chlorophenoxy)-N-[(E)-(2-chloroquinolin-3-yl)methylideneamino]acetamide |
| MolecularFormula | C18H13N3O2Cl2 |
| Smiles | O=C(COc1cc(Cl)ccc1)N/N=C/c1cc2ccccc2nc1Cl |
| InChI | InChI=1S/C18H13Cl2N3O2/c19-14-5-3-6-15(9-14)25-11-17(24)23-21-10-13-8-12-4-1-2-7-16(12)22-18(13)20/h1-10H,11H2,(H,23,24) |
| InChIK | KEDZDFCQVILRRZ-UHFFFAOYSA-N |
| TotalMolweight | 374.226 |
| Molweight | 374.226 |
| MonoisotopicMass | 373.038481 |
| CLogP | 4.4019 |
| CLogS | -5.442 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 274.95 |
| Relative PSA | 0.20724 |
| PolarSurfaceArea | 63.58 |
| Druglikeness | 4.2278 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 2-(3-chlorophenoxy)-N-[(E)-(2-chloroquinolin-3-yl)methylideneamino]acetamide | 2 - 2-(3-chlorophenoxy)-N-[(E)-(2-chloroquinolin-3-yl)methylideneamino]acetamide
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