2-chloro-N-[(Z)-(2-prop-2-ynoxyphenyl)methylideneamino]benzamide
Formula:C17H13N2O2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-chloro-N-[(Z)-(2-prop-2-ynoxyphenyl)methylideneamino]benzamide is a drug-like molecule.
| MolName | 2-chloro-N-[(Z)-(2-prop-2-ynoxyphenyl)methylideneamino]benzamide |
| MolecularFormula | C17H13N2O2Cl |
| Smiles | C#CCOc1c(/C=N\NC(c(cccc2)c2Cl)=O)cccc1 |
| InChI | InChI=1S/C17H13ClN2O2/c1-2-11-22-16-10-6-3-7-13(16)12-19-20-17(21)14-8-4-5-9-15(14)18/h1,3-10,12H,11H2,(H,20,21) |
| InChIK | LTZOJWNZZOIUDD-UHFFFAOYSA-N |
| TotalMolweight | 312.755 |
| Molweight | 312.755 |
| MonoisotopicMass | 312.066555 |
| CLogP | 3.7648 |
| CLogS | -5.099 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 249.98 |
| Relative PSA | 0.18405 |
| PolarSurfaceArea | 50.69 |
| Druglikeness | 4.0738 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| StereoCon |
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1 - 2-chloro-N-[(Z)-(2-prop-2-ynoxyphenyl)methylideneamino]benzamide | 2 - 2-chloro-N-[(Z)-(2-prop-2-ynoxyphenyl)methylideneamino]benzamide
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