N-[(E)-(2-fluorophenyl)methylideneamino]-1,3-benzoxazol-2-amine
Formula:C14H10N3OF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-(2-fluorophenyl)methylideneamino]-1,3-benzoxazol-2-amine is not a drug-like molecule.
| MolName | N-[(E)-(2-fluorophenyl)methylideneamino]-1,3-benzoxazol-2-amine |
| MolecularFormula | C14H10N3OF |
| Smiles | Fc1c(/C=N/Nc2nc(cccc3)c3o2)cccc1 |
| InChI | InChI=1S/C14H10FN3O/c15-11-6-2-1-5-10(11)9-16-18-14-17-12-7-3-4-8-13(12)19-14/h1-9H,(H,17,18) |
| InChIK | DODROLSCGPHEPQ-UHFFFAOYSA-N |
| TotalMolweight | 255.251 |
| Molweight | 255.251 |
| MonoisotopicMass | 255.08079 |
| CLogP | 5.323 |
| CLogS | -4.579 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 198.64 |
| Relative PSA | 0.24189 |
| PolarSurfaceArea | 50.42 |
| Druglikeness | 0.72588 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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