[(E)-[amino(pyridin-3-yl)methylidene]amino] 2-naphthalen-2-yloxyacetate
Formula:C18H15N3O3
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[(E)-[amino(pyridin-3-yl)methylidene]amino] 2-naphthalen-2-yloxyacetate is a drug-like molecule.
| MolName | [(E)-[amino(pyridin-3-yl)methylidene]amino] 2-naphthalen-2-yloxyacetate |
| MolecularFormula | C18H15N3O3 |
| Smiles | N/C(/c1cnccc1)=N/OC(COc1cc2ccccc2cc1)=O |
| InChI | InChI=1S/C18H15N3O3/c19-18(15-6-3-9-20-11-15)21-24-17(22)12-23-16-8-7-13-4-1-2-5-14(13)10-16/h1-11H,12H2,(H2,19,21) |
| InChIK | DQAIUPYBBZPTOV-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 | 0.66667 |
| 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 |
Click to Load Molecule:
1 - [(E)-[amino(pyridin-3-yl)methylidene]amino] 2-naphthalen-2-yloxyacetate | 2 - [(E)-[amino(pyridin-3-yl)methylidene]amino] 2-naphthalen-2-yloxyacetate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off