[(E)-[amino(pyridin-2-yl)methylidene]amino] 2,6-difluorobenzoate
Formula:C13H9N3O2F2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(E)-[amino(pyridin-2-yl)methylidene]amino] 2,6-difluorobenzoate is a drug-like molecule.
| MolName | [(E)-[amino(pyridin-2-yl)methylidene]amino] 2,6-difluorobenzoate |
| MolecularFormula | C13H9N3O2F2 |
| Smiles | N/C(/c1ncccc1)=N/OC(c(c(F)ccc1)c1F)=O |
| InChI | InChI=1S/C13H9F2N3O2/c14-8-4-3-5-9(15)11(8)13(19)20-18-12(16)10-6-1-2-7-17-10/h1-7H,(H2,16,18) |
| InChIK | FDSZCYSVMBDBQV-UHFFFAOYSA-N |
| TotalMolweight | 277.229 |
| Molweight | 277.229 |
| MonoisotopicMass | 277.066283 |
| CLogP | 2.3268 |
| CLogS | -3.393 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 203.72 |
| Relative PSA | 0.2984 |
| PolarSurfaceArea | 77.57 |
| Druglikeness | -4.094 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 3 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - [(E)-[amino(pyridin-2-yl)methylidene]amino] 2,6-difluorobenzoate | 2 - [(E)-[amino(pyridin-2-yl)methylidene]amino] 2,6-difluorobenzoate
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