[(E)-[amino(pyridin-2-yl)methylidene]amino] phenyl carbonate
Formula:C13H11N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(E)-[amino(pyridin-2-yl)methylidene]amino] phenyl carbonate is a drug-like molecule.
| MolName | [(E)-[amino(pyridin-2-yl)methylidene]amino] phenyl carbonate |
| MolecularFormula | C13H11N3O3 |
| Smiles | N/C(/c1ncccc1)=N/OC(Oc1ccccc1)=O |
| InChI | InChI=1S/C13H11N3O3/c14-12(11-8-4-5-9-15-11)16-19-13(17)18-10-6-2-1-3-7-10/h1-9H,(H2,14,16) |
| InChIK | GLXRQBGZIBUXSN-UHFFFAOYSA-N |
| TotalMolweight | 257.248 |
| Molweight | 257.248 |
| MonoisotopicMass | 257.080042 |
| CLogP | 2.4021 |
| CLogS | -3.239 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 201.02 |
| Relative PSA | 0.35215 |
| PolarSurfaceArea | 86.8 |
| Druglikeness | -4.5472 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68421 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - [(E)-[amino(pyridin-2-yl)methylidene]amino] phenyl carbonate | 2 - [(E)-[amino(pyridin-2-yl)methylidene]amino] phenyl carbonate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off