3-anilino-N'-hydroxypropanimidamide
Formula:C9H13N3O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-anilino-N'-hydroxypropanimidamide is a drug-like molecule.
| MolName | 3-anilino-N'-hydroxypropanimidamide |
| MolecularFormula | C9H13N3O |
| Smiles | N/C(/CCNc1ccccc1)=N/O |
| InChI | InChI=1S/C9H13N3O/c10-9(12-13)6-7-11-8-4-2-1-3-5-8/h1-5,11,13H,6-7H2,(H2,10,12) |
| InChIK | HHLIUUYYYZDKEU-UHFFFAOYSA-N |
| TotalMolweight | 179.222 |
| Molweight | 179.222 |
| MonoisotopicMass | 179.105862 |
| CLogP | 1.1146 |
| CLogS | -2.172 |
| H Acceptors | 4 |
| H Donors | 3 |
| TotalSurfaceArea | 150.08 |
| Relative PSA | 0.34208 |
| PolarSurfaceArea | 70.64 |
| Druglikeness | -0.017355 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.76923 |
| Fragments | 1 |
| Non HAtoms | 13 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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