3-[(4,5-dichloroimidazol-1-yl)methyl]-N'-hydroxybenzenecarboximidamide
Formula:C11H10N4OCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[(4,5-dichloroimidazol-1-yl)methyl]-N'-hydroxybenzenecarboximidamide is a drug-like molecule.
| MolName | 3-[(4,5-dichloroimidazol-1-yl)methyl]-N'-hydroxybenzenecarboximidamide |
| MolecularFormula | C11H10N4OCl2 |
| Smiles | N/C(/c1cccc(Cn(cn2)c(Cl)c2Cl)c1)=N/O |
| InChI | InChI=1S/C11H10Cl2N4O/c12-9-10(13)17(6-15-9)5-7-2-1-3-8(4-7)11(14)16-18/h1-4,6,18H,5H2,(H2,14,16) |
| InChIK | WRFKMXNSFXTXMX-UHFFFAOYSA-N |
| TotalMolweight | 285.133 |
| Molweight | 285.133 |
| MonoisotopicMass | 284.023165 |
| CLogP | 2.4256 |
| CLogS | -2.346 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 203.42 |
| Relative PSA | 0.28375 |
| PolarSurfaceArea | 76.43 |
| Druglikeness | 1.9359 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | 1,2-dihalo-alkene |
| Shape Index | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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