[(E)-[amino(pyridin-3-yl)methylidene]amino] 2-phenoxyacetate
Formula:C14H13N3O3
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[(E)-[amino(pyridin-3-yl)methylidene]amino] 2-phenoxyacetate is a drug-like molecule.
| MolName | [(E)-[amino(pyridin-3-yl)methylidene]amino] 2-phenoxyacetate |
| MolecularFormula | C14H13N3O3 |
| Smiles | N/C(/c1cnccc1)=N/OC(COc1ccccc1)=O |
| InChI | InChI=1S/C14H13N3O3/c15-14(11-5-4-8-16-9-11)17-20-13(18)10-19-12-6-2-1-3-7-12/h1-9H,10H2,(H2,15,17) |
| InChIK | WDQLJRGXJAKVGE-UHFFFAOYSA-N |
| TotalMolweight | 271.275 |
| Molweight | 271.275 |
| MonoisotopicMass | 271.095692 |
| CLogP | 1.6461 |
| CLogS | -2.521 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 214.78 |
| Relative PSA | 0.32959 |
| PolarSurfaceArea | 86.8 |
| Druglikeness | -2.6448 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - [(E)-[amino(pyridin-3-yl)methylidene]amino] 2-phenoxyacetate | 2 - [(E)-[amino(pyridin-3-yl)methylidene]amino] 2-phenoxyacetate
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