[(E)-[amino(pyridin-3-yl)methylidene]amino] 2-naphthalen-1-yloxyacetate
Formula:C18H15N3O3
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[(E)-[amino(pyridin-3-yl)methylidene]amino] 2-naphthalen-1-yloxyacetate is a drug-like molecule.
| MolName | [(E)-[amino(pyridin-3-yl)methylidene]amino] 2-naphthalen-1-yloxyacetate |
| MolecularFormula | C18H15N3O3 |
| Smiles | N/C(/c1cnccc1)=N/OC(COc1cccc2ccccc12)=O |
| InChI | InChI=1S/C18H15N3O3/c19-18(14-7-4-10-20-11-14)21-24-17(22)12-23-16-9-3-6-13-5-1-2-8-15(13)16/h1-11H,12H2,(H2,19,21) |
| InChIK | ZNVYBLGOYQTRRY-UHFFFAOYSA-N |
| TotalMolweight | 321.335 |
| Molweight | 321.335 |
| MonoisotopicMass | 321.111342 |
| CLogP | 2.8405 |
| CLogS | -4.127 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 249.38 |
| Relative PSA | 0.28386 |
| PolarSurfaceArea | 86.8 |
| Druglikeness | -2.6448 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 3 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - [(E)-[amino(pyridin-3-yl)methylidene]amino] 2-naphthalen-1-yloxyacetate | 2 - [(E)-[amino(pyridin-3-yl)methylidene]amino] 2-naphthalen-1-yloxyacetate
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