N-[(Z)-(2-bromophenyl)methylideneamino]-1,3-benzoxazol-2-amine
Formula:C14H10N3OBr
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-bromophenyl)methylideneamino]-1,3-benzoxazol-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-(2-bromophenyl)methylideneamino]-1,3-benzoxazol-2-amine |
| MolecularFormula | C14H10N3OBr |
| Smiles | Brc1c(/C=N\Nc2nc(cccc3)c3o2)cccc1 |
| InChI | InChI=1S/C14H10BrN3O/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 | RCWXPSMXNMRUDU-UHFFFAOYSA-N |
| TotalMolweight | 316.157 |
| Molweight | 316.157 |
| MonoisotopicMass | 315.000723 |
| CLogP | 5.9474 |
| CLogS | -5.099 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 210.92 |
| Relative PSA | 0.22781 |
| PolarSurfaceArea | 50.42 |
| Druglikeness | 0.27588 |
| 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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1 - N-[(Z)-(2-bromophenyl)methylideneamino]-1,3-benzoxazol-2-amine | 2 - N-[(Z)-(2-bromophenyl)methylideneamino]-1,3-benzoxazol-2-amine
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