[(Z)-[amino(pyridin-4-yl)methylidene]amino] phenyl carbonate
Formula:C13H11N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(Z)-[amino(pyridin-4-yl)methylidene]amino] phenyl carbonate is a drug-like molecule.
| MolName | [(Z)-[amino(pyridin-4-yl)methylidene]amino] phenyl carbonate |
| MolecularFormula | C13H11N3O3 |
| Smiles | N/C(/c1ccncc1)=N\OC(Oc1ccccc1)=O |
| InChI | InChI=1S/C13H11N3O3/c14-12(10-6-8-15-9-7-10)16-19-13(17)18-11-4-2-1-3-5-11/h1-9H,(H2,14,16) |
| InChIK | HMFTWGXSSLJZIN-UHFFFAOYSA-N |
| TotalMolweight | 257.248 |
| Molweight | 257.248 |
| MonoisotopicMass | 257.080042 |
| CLogP | 2.3481 |
| CLogS | -3.215 |
| 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 | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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