[(E)-[amino-(4-chlorophenyl)methylidene]amino] 2,6-difluorobenzoate
Formula:C14H9N2O2ClF2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(E)-[amino-(4-chlorophenyl)methylidene]amino] 2,6-difluorobenzoate is a drug-like molecule.
| MolName | [(E)-[amino-(4-chlorophenyl)methylidene]amino] 2,6-difluorobenzoate |
| MolecularFormula | C14H9N2O2ClF2 |
| Smiles | N/C(/c(cc1)ccc1Cl)=N/OC(c(c(F)ccc1)c1F)=O |
| InChI | InChI=1S/C14H9ClF2N2O2/c15-9-6-4-8(5-7-9)13(18)19-21-14(20)12-10(16)2-1-3-11(12)17/h1-7H,(H2,18,19) |
| InChIK | OLRJFSAJFJLBHC-UHFFFAOYSA-N |
| TotalMolweight | 310.686 |
| Molweight | 310.686 |
| MonoisotopicMass | 310.032061 |
| CLogP | 3.8797 |
| CLogS | -4.9 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 220.38 |
| Relative PSA | 0.22606 |
| PolarSurfaceArea | 64.68 |
| Druglikeness | -4.0001 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 5 |
| StereoCon |
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1 - [(E)-[amino-(4-chlorophenyl)methylidene]amino] 2,6-difluorobenzoate | 2 - [(E)-[amino-(4-chlorophenyl)methylidene]amino] 2,6-difluorobenzoate
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