N'-amino-N-(hydroxyamino)-2-phenylethanimidamide
Formula:C8H12N4O
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N'-amino-N-(hydroxyamino)-2-phenylethanimidamide is a drug-like molecule.
| MolName | N'-amino-N-(hydroxyamino)-2-phenylethanimidamide |
| MolecularFormula | C8H12N4O |
| Smiles | N/N=C(/Cc1ccccc1)\NNO |
| InChI | InChI=1S/C8H12N4O/c9-10-8(11-12-13)6-7-4-2-1-3-5-7/h1-5,12-13H,6,9H2,(H,10,11) |
| InChIK | LZQXHDXKMNMJCO-UHFFFAOYSA-N |
| TotalMolweight | 180.21 |
| Molweight | 180.21 |
| MonoisotopicMass | 180.101111 |
| CLogP | 0.6023 |
| CLogS | -2.322 |
| H Acceptors | 5 |
| H Donors | 4 |
| TotalSurfaceArea | 147.78 |
| Relative PSA | 0.42496 |
| PolarSurfaceArea | 82.67 |
| Druglikeness | -1.07 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.69231 |
| Fragments | 1 |
| Non HAtoms | 13 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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