[(E)-[amino(pyridin-2-yl)methylidene]amino] 2-naphthalen-1-ylacetate
Formula:C18H15N3O2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:low
[(E)-[amino(pyridin-2-yl)methylidene]amino] 2-naphthalen-1-ylacetate is a drug-like molecule.
| MolName | [(E)-[amino(pyridin-2-yl)methylidene]amino] 2-naphthalen-1-ylacetate |
| MolecularFormula | C18H15N3O2 |
| Smiles | N/C(/c1ncccc1)=N/OC(Cc1cccc2ccccc12)=O |
| InChI | InChI=1S/C18H15N3O2/c19-18(16-10-3-4-11-20-16)21-23-17(22)12-14-8-5-7-13-6-1-2-9-15(13)14/h1-11H,12H2,(H2,19,21) |
| InChIK | IGVLOTPRMWREFK-UHFFFAOYSA-N |
| TotalMolweight | 305.336 |
| Molweight | 305.336 |
| MonoisotopicMass | 305.116427 |
| CLogP | 3.3177 |
| CLogS | -4.336 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 239.38 |
| Relative PSA | 0.25395 |
| PolarSurfaceArea | 77.57 |
| Druglikeness | -3.8283 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - [(E)-[amino(pyridin-2-yl)methylidene]amino] 2-naphthalen-1-ylacetate | 2 - [(E)-[amino(pyridin-2-yl)methylidene]amino] 2-naphthalen-1-ylacetate
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