(NE)-N-(1-phenylpent-4-enylidene)hydroxylamine
Formula:C11H13NO
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(NE)-N-(1-phenylpent-4-enylidene)hydroxylamine is a drug-like molecule.
| MolName | (NE)-N-(1-phenylpent-4-enylidene)hydroxylamine |
| MolecularFormula | C11H13NO |
| Smiles | C=CCC/C(/c1ccccc1)=N\O |
| InChI | InChI=1S/C11H13NO/c1-2-3-9-11(12-13)10-7-5-4-6-8-10/h2,4-8,13H,1,3,9H2 |
| InChIK | HBQOBNFVZMZRGC-UHFFFAOYSA-N |
| TotalMolweight | 175.23 |
| Molweight | 175.23 |
| MonoisotopicMass | 175.099714 |
| CLogP | 3.3299 |
| CLogS | -3.424 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 154.64 |
| Relative PSA | 0.15914 |
| PolarSurfaceArea | 32.59 |
| Druglikeness | -6.5912 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.69231 |
| Fragments | 1 |
| Non HAtoms | 13 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| StereoCon |
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