N-[(Z)-benzylideneamino]-1,3-benzoxazol-2-amine
Formula:C14H11N3O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-benzylideneamino]-1,3-benzoxazol-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-benzylideneamino]-1,3-benzoxazol-2-amine |
| MolecularFormula | C14H11N3O |
| Smiles | C(c1ccccc1)=N\Nc1nc(cccc2)c2o1 |
| InChI | InChI=1S/C14H11N3O/c1-2-6-11(7-3-1)10-15-17-14-16-12-8-4-5-9-13(12)18-14/h1-10H,(H,16,17) |
| InChIK | CEWLTJQGIPIEPF-UHFFFAOYSA-N |
| TotalMolweight | 237.261 |
| Molweight | 237.261 |
| MonoisotopicMass | 237.090212 |
| CLogP | 5.2222 |
| CLogS | -4.265 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 192.29 |
| Relative PSA | 0.24988 |
| PolarSurfaceArea | 50.42 |
| Druglikeness | 2.0659 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-benzylideneamino]-1,3-benzoxazol-2-amine | 2 - N-[(Z)-benzylideneamino]-1,3-benzoxazol-2-amine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off