(NZ)-N-[[5-(2-phenylethynyl)furan-2-yl]methylidene]hydroxylamine
Formula:C13H9NO2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(NZ)-N-[[5-(2-phenylethynyl)furan-2-yl]methylidene]hydroxylamine is a drug-like molecule.
| MolName | (NZ)-N-[[5-(2-phenylethynyl)furan-2-yl]methylidene]hydroxylamine |
| MolecularFormula | C13H9NO2 |
| Smiles | O/N=C\c1ccc(C#Cc2ccccc2)o1 |
| InChI | InChI=1S/C13H9NO2/c15-14-10-13-9-8-12(16-13)7-6-11-4-2-1-3-5-11/h1-5,8-10,15H |
| InChIK | AIUHZHVTKNRBJP-UHFFFAOYSA-N |
| TotalMolweight | 211.219 |
| Molweight | 211.219 |
| MonoisotopicMass | 211.063329 |
| CLogP | 3.641 |
| CLogS | -3.057 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 183.62 |
| Relative PSA | 0.21087 |
| PolarSurfaceArea | 45.73 |
| Druglikeness | -2.006 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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