(NE)-N-(2-chloro-1-phenylethylidene)hydroxylamine
Formula:C8H8NOCl
Mutagenic:low
Tumorigenic:high
Reproductive Effective:high
(NE)-N-(2-chloro-1-phenylethylidene)hydroxylamine is a drug-like molecule.
| MolName | (NE)-N-(2-chloro-1-phenylethylidene)hydroxylamine |
| MolecularFormula | C8H8NOCl |
| Smiles | O/N=C(/CCl)\c1ccccc1 |
| InChI | InChI=1S/C8H8ClNO/c9-6-8(10-11)7-4-2-1-3-5-7/h1-5,11H,6H2 |
| InChIK | VLXDSXLUNPBBOT-UHFFFAOYSA-N |
| TotalMolweight | 169.611 |
| Molweight | 169.611 |
| MonoisotopicMass | 169.029441 |
| CLogP | 2.3815 |
| CLogS | -3.076 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 131.76 |
| Relative PSA | 0.18678 |
| PolarSurfaceArea | 32.59 |
| Druglikeness | -1.5562 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 11 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
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