6-chloro-N-[(Z)-(4-fluorophenyl)methylideneamino]-1,3-benzoxazol-2-amine
Formula:C14H9N3OClF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
6-chloro-N-[(Z)-(4-fluorophenyl)methylideneamino]-1,3-benzoxazol-2-amine is not a drug-like molecule.
| MolName | 6-chloro-N-[(Z)-(4-fluorophenyl)methylideneamino]-1,3-benzoxazol-2-amine |
| MolecularFormula | C14H9N3OClF |
| Smiles | Fc1ccc(/C=N\Nc2nc(ccc(Cl)c3)c3o2)cc1 |
| InChI | InChI=1S/C14H9ClFN3O/c15-10-3-6-12-13(7-10)20-14(18-12)19-17-8-9-1-4-11(16)5-2-9/h1-8H,(H,18,19) |
| InChIK | SCSOYVZEKAFHAG-UHFFFAOYSA-N |
| TotalMolweight | 289.696 |
| Molweight | 289.696 |
| MonoisotopicMass | 289.041817 |
| CLogP | 5.929 |
| CLogS | -5.315 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 214.06 |
| Relative PSA | 0.22447 |
| PolarSurfaceArea | 50.42 |
| Druglikeness | 0.74843 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 6-chloro-N-[(Z)-(4-fluorophenyl)methylideneamino]-1,3-benzoxazol-2-amine | 2 - 6-chloro-N-[(Z)-(4-fluorophenyl)methylideneamino]-1,3-benzoxazol-2-amine
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