[(E)-[amino-(2,4-difluorophenyl)methylidene]amino] benzoate
Formula:C14H10N2O2F2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(E)-[amino-(2,4-difluorophenyl)methylidene]amino] benzoate is a drug-like molecule.
| MolName | [(E)-[amino-(2,4-difluorophenyl)methylidene]amino] benzoate |
| MolecularFormula | C14H10N2O2F2 |
| Smiles | N/C(/c(ccc(F)c1)c1F)=N/OC(c1ccccc1)=O |
| InChI | InChI=1S/C14H10F2N2O2/c15-10-6-7-11(12(16)8-10)13(17)18-20-14(19)9-4-2-1-3-5-9/h1-8H,(H2,17,18) |
| InChIK | JXVKJKQHDWWWMY-UHFFFAOYSA-N |
| TotalMolweight | 276.241 |
| Molweight | 276.241 |
| MonoisotopicMass | 276.071034 |
| CLogP | 3.2737 |
| CLogS | -4.164 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 204.96 |
| Relative PSA | 0.24307 |
| PolarSurfaceArea | 64.68 |
| Druglikeness | -4.094 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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