4-(3,5-dichloropyridin-4-yl)oxy-N'-hydroxybenzenecarboximidamide
Formula:C12H9N3O2Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-(3,5-dichloropyridin-4-yl)oxy-N'-hydroxybenzenecarboximidamide is a drug-like molecule.
| MolName | 4-(3,5-dichloropyridin-4-yl)oxy-N'-hydroxybenzenecarboximidamide |
| MolecularFormula | C12H9N3O2Cl2 |
| Smiles | N/C(/c(cc1)ccc1Oc(c(Cl)cnc1)c1Cl)=N/O |
| InChI | InChI=1S/C12H9Cl2N3O2/c13-9-5-16-6-10(14)11(9)19-8-3-1-7(2-4-8)12(15)17-18/h1-6,18H,(H2,15,17) |
| InChIK | GQLWJSLITHXMLU-UHFFFAOYSA-N |
| TotalMolweight | 298.128 |
| Molweight | 298.128 |
| MonoisotopicMass | 297.007181 |
| CLogP | 2.975 |
| CLogS | -5.054 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 210.46 |
| Relative PSA | 0.28913 |
| PolarSurfaceArea | 80.73 |
| Druglikeness | -1.4352 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 5 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 4-(3,5-dichloropyridin-4-yl)oxy-N'-hydroxybenzenecarboximidamide | 2 - 4-(3,5-dichloropyridin-4-yl)oxy-N'-hydroxybenzenecarboximidamide
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