2-(3,4-dichloroanilino)-N'-hydroxyethanimidamide
Formula:C8H9N3OCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(3,4-dichloroanilino)-N'-hydroxyethanimidamide is a drug-like molecule.
| MolName | 2-(3,4-dichloroanilino)-N'-hydroxyethanimidamide |
| MolecularFormula | C8H9N3OCl2 |
| Smiles | N/C(/CNc(cc1)cc(Cl)c1Cl)=N\O |
| InChI | InChI=1S/C8H9Cl2N3O/c9-6-2-1-5(3-7(6)10)12-4-8(11)13-14/h1-3,12,14H,4H2,(H2,11,13) |
| InChIK | DCWCTDKIOSOPPS-UHFFFAOYSA-N |
| TotalMolweight | 234.085 |
| Molweight | 234.085 |
| MonoisotopicMass | 233.012266 |
| CLogP | 1.8722 |
| CLogS | -3.374 |
| H Acceptors | 4 |
| H Donors | 3 |
| TotalSurfaceArea | 167.16 |
| Relative PSA | 0.30713 |
| PolarSurfaceArea | 70.64 |
| Druglikeness | 0.26995 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 14 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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