N-hydroxy-7H-purine-6-carboxamide
Formula:C6H5N5O2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:low
N-hydroxy-7H-purine-6-carboxamide is a drug-like molecule.
| MolName | N-hydroxy-7H-purine-6-carboxamide |
| MolecularFormula | C6H5N5O2 |
| Smiles | ONC(c1ncnc2c1[nH]cn2)=O |
| InChI | InChI=1S/C6H5N5O2/c12-6(11-13)4-3-5(9-1-7-3)10-2-8-4/h1-2,13H,(H,11,12)(H,7,8,9,10) |
| InChIK | OLWVZLHCNCHXAP-UHFFFAOYSA-N |
| TotalMolweight | 179.139 |
| Molweight | 179.139 |
| MonoisotopicMass | 179.044325 |
| CLogP | -0.9964 |
| CLogS | -1.98 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 129.27 |
| Relative PSA | 0.65367 |
| PolarSurfaceArea | 103.79 |
| Druglikeness | 0.75363 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 13 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 1 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 9 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 4 |
| BasicNitrogens | 1 |
| StereoCon |
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