(NZ)-N-[(1-phenyltriazol-4-yl)methylidene]hydroxylamine
Formula:C9H8N4O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(NZ)-N-[(1-phenyltriazol-4-yl)methylidene]hydroxylamine is a drug-like molecule.
| MolName | (NZ)-N-[(1-phenyltriazol-4-yl)methylidene]hydroxylamine |
| MolecularFormula | C9H8N4O |
| Smiles | O/N=C\c1cn(-c2ccccc2)nn1 |
| InChI | InChI=1S/C9H8N4O/c14-10-6-8-7-13(12-11-8)9-4-2-1-3-5-9/h1-7,14H |
| InChIK | ACCGKTIQIFVNGB-UHFFFAOYSA-N |
| TotalMolweight | 188.19 |
| Molweight | 188.19 |
| MonoisotopicMass | 188.069811 |
| CLogP | 1.0827 |
| CLogS | -2.063 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 150.85 |
| Relative PSA | 0.35413 |
| PolarSurfaceArea | 63.3 |
| Druglikeness | -2.6501 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 14 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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