(3E)-3-amino-N-(3,5-dichlorophenyl)-3-hydroxyiminopropanamide
Formula:C9H9N3O2Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3E)-3-amino-N-(3,5-dichlorophenyl)-3-hydroxyiminopropanamide is a drug-like molecule.
| MolName | (3E)-3-amino-N-(3,5-dichlorophenyl)-3-hydroxyiminopropanamide |
| MolecularFormula | C9H9N3O2Cl2 |
| Smiles | N/C(/CC(Nc1cc(Cl)cc(Cl)c1)=O)=N/O |
| InChI | InChI=1S/C9H9Cl2N3O2/c10-5-1-6(11)3-7(2-5)13-9(15)4-8(12)14-16/h1-3,16H,4H2,(H2,12,14)(H,13,15) |
| InChIK | SWFYKFORAPPHFG-UHFFFAOYSA-N |
| TotalMolweight | 262.095 |
| Molweight | 262.095 |
| MonoisotopicMass | 261.007181 |
| CLogP | 1.977 |
| CLogS | -3.626 |
| H Acceptors | 5 |
| H Donors | 3 |
| TotalSurfaceArea | 184.91 |
| Relative PSA | 0.34817 |
| PolarSurfaceArea | 87.71 |
| Druglikeness | 0.86759 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon |
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