(2Z)-2-(1,3-benzoxazol-2-ylhydrazinylidene)-1-phenylethanone
Formula:C15H11N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2Z)-2-(1,3-benzoxazol-2-ylhydrazinylidene)-1-phenylethanone is a drug-like molecule.
| MolName | (2Z)-2-(1,3-benzoxazol-2-ylhydrazinylidene)-1-phenylethanone |
| MolecularFormula | C15H11N3O2 |
| Smiles | O=C(/C=N\Nc1nc(cccc2)c2o1)c1ccccc1 |
| InChI | InChI=1S/C15H11N3O2/c19-13(11-6-2-1-3-7-11)10-16-18-15-17-12-8-4-5-9-14(12)20-15/h1-10H,(H,17,18) |
| InChIK | OLGICMLFOFGPQM-UHFFFAOYSA-N |
| TotalMolweight | 265.271 |
| Molweight | 265.271 |
| MonoisotopicMass | 265.085127 |
| CLogP | 4.0211 |
| CLogS | -4.333 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 210.04 |
| Relative PSA | 0.29085 |
| PolarSurfaceArea | 67.49 |
| Druglikeness | 2.4387 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (2Z)-2-(1,3-benzoxazol-2-ylhydrazinylidene)-1-phenylethanone | 2 - (2Z)-2-(1,3-benzoxazol-2-ylhydrazinylidene)-1-phenylethanone
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