(2E)-2-hydroxyimino-2-phenylacetonitrile
Formula:C8H6N2O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2E)-2-hydroxyimino-2-phenylacetonitrile is a drug-like molecule.
| MolName | (2E)-2-hydroxyimino-2-phenylacetonitrile |
| MolecularFormula | C8H6N2O |
| Smiles | N#C/C(/c1ccccc1)=N/O |
| InChI | InChI=1S/C8H6N2O/c9-6-8(10-11)7-4-2-1-3-5-7/h1-5,11H |
| InChIK | MJCQFBKIFDVTTR-UHFFFAOYSA-N |
| TotalMolweight | 146.149 |
| Molweight | 146.149 |
| MonoisotopicMass | 146.048013 |
| CLogP | 1.3978 |
| CLogS | -2.823 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 124.29 |
| Relative PSA | 0.3071 |
| PolarSurfaceArea | 56.38 |
| Druglikeness | -5.6364 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 11 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 1 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - (2E)-2-hydroxyimino-2-phenylacetonitrile | 2 - (2E)-2-hydroxyimino-2-phenylacetonitrile
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