N'-hydroxy-1,3-benzodioxole-5-carboximidamide
Formula:C8H8N2O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-hydroxy-1,3-benzodioxole-5-carboximidamide is a drug-like molecule.
| MolName | N'-hydroxy-1,3-benzodioxole-5-carboximidamide |
| MolecularFormula | C8H8N2O3 |
| Smiles | N/C(/c(cc1)cc2c1OCO2)=N/O |
| InChI | InChI=1S/C8H8N2O3/c9-8(10-11)5-1-2-6-7(3-5)13-4-12-6/h1-3,11H,4H2,(H2,9,10) |
| InChIK | GZXSHCHKXXMZQP-UHFFFAOYSA-N |
| TotalMolweight | 180.163 |
| Molweight | 180.163 |
| MonoisotopicMass | 180.053493 |
| CLogP | 1.4797 |
| CLogS | -2.791 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 131.36 |
| Relative PSA | 0.45585 |
| PolarSurfaceArea | 77.07 |
| Druglikeness | -1.5635 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 13 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 1 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 4 |
| StereoCon |
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