2-(4-cyanophenoxy)-N-[(Z)-(3-hydroxyphenyl)methylideneamino]acetamide
Formula:C16H13N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(4-cyanophenoxy)-N-[(Z)-(3-hydroxyphenyl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(4-cyanophenoxy)-N-[(Z)-(3-hydroxyphenyl)methylideneamino]acetamide |
| MolecularFormula | C16H13N3O3 |
| Smiles | N#Cc(cc1)ccc1OCC(N/N=C\c1cc(O)ccc1)=O |
| InChI | InChI=1S/C16H13N3O3/c17-9-12-4-6-15(7-5-12)22-11-16(21)19-18-10-13-2-1-3-14(20)8-13/h1-8,10,20H,11H2,(H,19,21) |
| InChIK | MRZYUOIVFKHOEK-UHFFFAOYSA-N |
| TotalMolweight | 295.297 |
| Molweight | 295.297 |
| MonoisotopicMass | 295.095692 |
| CLogP | 2.2664 |
| CLogS | -3.978 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 238.81 |
| Relative PSA | 0.3043 |
| PolarSurfaceArea | 94.71 |
| Druglikeness | -0.09842 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.72727 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - 2-(4-cyanophenoxy)-N-[(Z)-(3-hydroxyphenyl)methylideneamino]acetamide | 2 - 2-(4-cyanophenoxy)-N-[(Z)-(3-hydroxyphenyl)methylideneamino]acetamide
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