[(Z)-[amino(pyridin-2-yl)methylidene]amino] benzoate
Formula:C13H11N3O2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(Z)-[amino(pyridin-2-yl)methylidene]amino] benzoate is a drug-like molecule.
| MolName | [(Z)-[amino(pyridin-2-yl)methylidene]amino] benzoate |
| MolecularFormula | C13H11N3O2 |
| Smiles | N/C(/c1ncccc1)=N\OC(c1ccccc1)=O |
| InChI | InChI=1S/C13H11N3O2/c14-12(11-8-4-5-9-15-11)16-18-13(17)10-6-2-1-3-7-10/h1-9H,(H2,14,16) |
| InChIK | AVIVHVXKBBXBMQ-UHFFFAOYSA-N |
| TotalMolweight | 241.249 |
| Molweight | 241.249 |
| MonoisotopicMass | 241.085127 |
| CLogP | 2.1252 |
| CLogS | -2.765 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 191.02 |
| Relative PSA | 0.31824 |
| PolarSurfaceArea | 77.57 |
| Druglikeness | -2.754 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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