4-[(6-chloropyridin-3-yl)methoxy]-N'-hydroxybenzenecarboximidamide
Formula:C13H12N3O2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(6-chloropyridin-3-yl)methoxy]-N'-hydroxybenzenecarboximidamide is a drug-like molecule.
| MolName | 4-[(6-chloropyridin-3-yl)methoxy]-N'-hydroxybenzenecarboximidamide |
| MolecularFormula | C13H12N3O2Cl |
| Smiles | N/C(/c(cc1)ccc1OCc(cc1)cnc1Cl)=N/O |
| InChI | InChI=1S/C13H12ClN3O2/c14-12-6-1-9(7-16-12)8-19-11-4-2-10(3-5-11)13(15)17-18/h1-7,18H,8H2,(H2,15,17) |
| InChIK | DRLDXOOFOKZLLR-UHFFFAOYSA-N |
| TotalMolweight | 277.71 |
| Molweight | 277.71 |
| MonoisotopicMass | 277.061804 |
| CLogP | 2.4189 |
| CLogS | -3.125 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 208.8 |
| Relative PSA | 0.29143 |
| PolarSurfaceArea | 80.73 |
| Druglikeness | -1.5775 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.73684 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 4-[(6-chloropyridin-3-yl)methoxy]-N'-hydroxybenzenecarboximidamide | 2 - 4-[(6-chloropyridin-3-yl)methoxy]-N'-hydroxybenzenecarboximidamide
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