(NZ)-N-[(2-prop-2-ynoxyphenyl)methylidene]hydroxylamine
Formula:C10H9NO2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(NZ)-N-[(2-prop-2-ynoxyphenyl)methylidene]hydroxylamine is a drug-like molecule.
| MolName | (NZ)-N-[(2-prop-2-ynoxyphenyl)methylidene]hydroxylamine |
| MolecularFormula | C10H9NO2 |
| Smiles | C#CCOc1c(/C=N\O)cccc1 |
| InChI | InChI=1S/C10H9NO2/c1-2-7-13-10-6-4-3-5-9(10)8-11-12/h1,3-6,8,12H,7H2 |
| InChIK | VMONQQVWIPRJJI-UHFFFAOYSA-N |
| TotalMolweight | 175.186 |
| Molweight | 175.186 |
| MonoisotopicMass | 175.063329 |
| CLogP | 2.1715 |
| CLogS | -2.957 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 151.94 |
| Relative PSA | 0.22779 |
| PolarSurfaceArea | 41.82 |
| Druglikeness | -1.1496 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.69231 |
| Fragments | 1 |
| Non HAtoms | 13 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 3 |
| StereoCon |
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1 - (NZ)-N-[(2-prop-2-ynoxyphenyl)methylidene]hydroxylamine | 2 - (NZ)-N-[(2-prop-2-ynoxyphenyl)methylidene]hydroxylamine
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