2-(7H-purin-6-yl)acetohydrazide
Formula:C7H8N6O
Mutagenic:high
Tumorigenic:high
Reproductive Effective:low
2-(7H-purin-6-yl)acetohydrazide is a drug-like molecule.
| MolName | 2-(7H-purin-6-yl)acetohydrazide |
| MolecularFormula | C7H8N6O |
| Smiles | NNC(Cc1ncnc2c1[nH]cn2)=O |
| InChI | InChI=1S/C7H8N6O/c8-13-5(14)1-4-6-7(11-2-9-4)12-3-10-6/h2-3H,1,8H2,(H,13,14)(H,9,10,11,12) |
| InChIK | YAXUERPUBHSCKX-UHFFFAOYSA-N |
| TotalMolweight | 192.182 |
| Molweight | 192.182 |
| MonoisotopicMass | 192.075959 |
| CLogP | -1.6458 |
| CLogS | -2.023 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 145.2 |
| Relative PSA | 0.5969 |
| PolarSurfaceArea | 109.58 |
| Druglikeness | -4.815 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | hydrazine |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 14 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 9 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 4 |
| BasicNitrogens | 1 |
| StereoCon |
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