4-(4,5-dichloroimidazol-1-yl)-N'-hydroxy-3-nitrobenzenecarboximidamide
Formula:C10H7N5O3Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-(4,5-dichloroimidazol-1-yl)-N'-hydroxy-3-nitrobenzenecarboximidamide is a drug-like molecule.
| MolName | 4-(4,5-dichloroimidazol-1-yl)-N'-hydroxy-3-nitrobenzenecarboximidamide |
| MolecularFormula | C10H7N5O3Cl2 |
| Smiles | N/C(/c(cc1)cc([N+]([O-])=O)c1-n(cn1)c(Cl)c1Cl)=N/O |
| InChI | InChI=1S/C10H7Cl2N5O3/c11-8-9(12)16(4-14-8)6-2-1-5(10(13)15-18)3-7(6)17(19)20/h1-4,18H,(H2,13,15) |
| InChIK | XUPZOKKKJDDOCM-UHFFFAOYSA-N |
| TotalMolweight | 316.104 |
| Molweight | 316.104 |
| MonoisotopicMass | 314.992594 |
| CLogP | 1.4761 |
| CLogS | -5.642 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 213.33 |
| Relative PSA | 0.41316 |
| PolarSurfaceArea | 122.25 |
| Druglikeness | -4.3055 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; 1,2-dihalo-alkene |
| Shape Index | 0.55 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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