N-[(Z)-(5-bromo-2-prop-2-ynoxyphenyl)methylideneamino]-2-(3-chlorophenoxy)acetamide
Formula:C18H14N2O3BrCl
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(5-bromo-2-prop-2-ynoxyphenyl)methylideneamino]-2-(3-chlorophenoxy)acetamide is a drug-like molecule.
| MolName | N-[(Z)-(5-bromo-2-prop-2-ynoxyphenyl)methylideneamino]-2-(3-chlorophenoxy)acetamide |
| MolecularFormula | C18H14N2O3BrCl |
| Smiles | C#CCOc(cc1)c(/C=N\NC(COc2cc(Cl)ccc2)=O)cc1Br |
| InChI | InChI=1S/C18H14BrClN2O3/c1-2-8-24-17-7-6-14(19)9-13(17)11-21-22-18(23)12-25-16-5-3-4-15(20)10-16/h1,3-7,9-11H,8,12H2,(H,22,23) |
| InChIK | GEXZCSOXMIHVGB-UHFFFAOYSA-N |
| TotalMolweight | 421.677 |
| Molweight | 421.677 |
| MonoisotopicMass | 419.987631 |
| CLogP | 4.0649 |
| CLogS | -5.713 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 292.37 |
| Relative PSA | 0.19157 |
| PolarSurfaceArea | 59.92 |
| Druglikeness | 2.4605 |
| Mutagenic | high |
| 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 | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| StereoCon |
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