4-amino-N'-[(Z)-(3-hydroxyphenyl)methylideneamino]-1,2,5-oxadiazole-3-carboximidamide
Formula:C10H10N6O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-amino-N'-[(Z)-(3-hydroxyphenyl)methylideneamino]-1,2,5-oxadiazole-3-carboximidamide is a drug-like molecule.
| MolName | 4-amino-N'-[(Z)-(3-hydroxyphenyl)methylideneamino]-1,2,5-oxadiazole-3-carboximidamide |
| MolecularFormula | C10H10N6O2 |
| Smiles | N/C(/c1nonc1N)=N/N=C\c1cc(O)ccc1 |
| InChI | InChI=1S/C10H10N6O2/c11-9(8-10(12)16-18-15-8)14-13-5-6-2-1-3-7(17)4-6/h1-5,17H,(H2,11,14)(H2,12,16) |
| InChIK | QCVAKZIXZJYURU-UHFFFAOYSA-N |
| TotalMolweight | 246.229 |
| Molweight | 246.229 |
| MonoisotopicMass | 246.086524 |
| CLogP | 1.8333 |
| CLogS | -2.469 |
| H Acceptors | 8 |
| H Donors | 3 |
| TotalSurfaceArea | 191.35 |
| Relative PSA | 0.53677 |
| PolarSurfaceArea | 135.91 |
| Druglikeness | 2.5158 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | dimethylene-hydrazine; imine/hydrazone of aldehyde |
| Shape Index | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - 4-amino-N'-[(Z)-(3-hydroxyphenyl)methylideneamino]-1,2,5-oxadiazole-3-carboximidamide | 2 - 4-amino-N'-[(Z)-(3-hydroxyphenyl)methylideneamino]-1,2,5-oxadiazole-3-carboximidamide
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