N-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]-1,3-benzoxazol-2-amine
Formula:C15H10N3OF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]-1,3-benzoxazol-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]-1,3-benzoxazol-2-amine |
| MolecularFormula | C15H10N3OF3 |
| Smiles | FC(c1cc(/C=N\Nc2nc(cccc3)c3o2)ccc1)(F)F |
| InChI | InChI=1S/C15H10F3N3O/c16-15(17,18)11-5-3-4-10(8-11)9-19-21-14-20-12-6-1-2-7-13(12)22-14/h1-9H,(H,20,21) |
| InChIK | HSTJLXPEVRUMNA-UHFFFAOYSA-N |
| TotalMolweight | 305.258 |
| Molweight | 305.258 |
| MonoisotopicMass | 305.077596 |
| CLogP | 6.0705 |
| CLogS | -5.043 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 221.75 |
| Relative PSA | 0.21669 |
| PolarSurfaceArea | 50.42 |
| Druglikeness | -5.1241 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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