N-[(Z)-(4-phenylphenyl)methylideneamino]-1,3-benzoxazol-2-amine
Formula:C20H15N3O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-phenylphenyl)methylideneamino]-1,3-benzoxazol-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-(4-phenylphenyl)methylideneamino]-1,3-benzoxazol-2-amine |
| MolecularFormula | C20H15N3O |
| Smiles | C(c(cc1)ccc1-c1ccccc1)=N\Nc1nc(cccc2)c2o1 |
| InChI | InChI=1S/C20H15N3O/c1-2-6-16(7-3-1)17-12-10-15(11-13-17)14-21-23-20-22-18-8-4-5-9-19(18)24-20/h1-14H,(H,22,23) |
| InChIK | MBAIITUQYYRRTC-UHFFFAOYSA-N |
| TotalMolweight | 313.359 |
| Molweight | 313.359 |
| MonoisotopicMass | 313.121512 |
| CLogP | 6.8814 |
| CLogS | -6.351 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 252.05 |
| Relative PSA | 0.19064 |
| 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 | 24 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-(4-phenylphenyl)methylideneamino]-1,3-benzoxazol-2-amine | 2 - N-[(Z)-(4-phenylphenyl)methylideneamino]-1,3-benzoxazol-2-amine
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